⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8668271 | 0.98 | CYP2C19 (0.52) | — | |
| SCHEMBL15808662 | 0.83 | — | — | |
| SCHEMBL28448197 | 0.83 | — | — | |
| SCHEMBL13437216 | 0.83 | — | — | |
| SCHEMBL10447542 | 0.81 | CYP2D6 (0.62) | — | |
| SCHEMBL19319051 | 0.81 | — | — | |
| SCHEMBL19953940 | 0.81 | HPGD (0.51) | — | |
| SCHEMBL2418182 | 0.80 | CYP2D6 (0.54) | — | |
| Hydrochloric Acid SCHEMBL29169433 | 0.79 | HPGD (0.50) | — | |
| SCHEMBL14859908 | 0.78 | CYP2D6 (0.52) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160354346-A1 | ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR TREATING SKIN DISEASES AND CONDITIONS | ALLERGAN, INC. | 2016-12-08 | — | — | US | claimed |
| EP-1532121-B1 | NEW USE OF PYRIMIDINE - OR TRIAZINE- 2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY AND NOVEL PYRIMIDINE-2-CARBONITILE DERIVATIVES | ASTRAZENECA AB (SE) | 2007-02-14 | — | — | EP | claimed |
| EP-1532121-A1 | NEW USE OF PYRIMIDINE - OR TRIAZINE- 2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY AND NOVEL PYRIMIDINE-2-CARBONITILE DERIVATIVES | AstraZeneca AB (SE) | 2005-05-25 | — | — | EP | claimed |
| WO-2004000819-A1 | NEW USE OF PYRIMIDINE - OR TRIAZINE- 2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY AND NOVEL PYRIMIDINE-2-CARBONITILE DERIVATIVES | ASTRAZENECA AB (SE) | 2003-12-31 | — | — | WO | claimed |
| US-20230286997-A1 | Compounds for the Treatment of Cancer and Inflammatory Disease | SHY Therapeutics LLC | 2023-09-14 | — | — | US | disclosed |
| US-20230149369-A1 | Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease | SHY Therapeutics LLC (US) | 2023-05-18 | — | — | US | disclosed |
| US-11560390-B2 | Compounds for the treatment of cancer and inflammatory disease | SHY Therapeutics LLC (US) | 2023-01-24 | — | — | US | disclosed |
| US-11213515-B1 | Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease | SHY Therapeutics LLC (US) | 2022-01-04 | — | — | US | disclosed |
| EP-3636263-B1 | ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL | ALLERGAN INC (US) | 2021-11-03 | — | — | EP | disclosed |
| US-11026930-B1 | Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease | SHY Therapeutics LLC (US) | 2021-06-08 | — | — | US | disclosed |
| US-11000515-B2 | Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease | SHY Therapeutics LLC (US) | 2021-05-11 | — | — | US | disclosed |
| US-10940139-B2 | Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease | SHY Therapeutics LLC (US) | 2021-03-09 | — | — | US | disclosed |
| US-7576218-B2 | 4-phenylpiperdine-pyrazole CCR1 antagonists | CHEMOCENTRYX, INC. (US) | 2009-08-18 | — | — | US | disclosed |
| US-7576218-B2 | 4-phenylpiperdine-pyrazole CCR1 antagonists | CHEMOCENTRYX, INC. (US) | 2009-08-18 | — | — | US | disclosed |
| US-7504425-B2 | Compounds useful in the treatment of anthrax and inhibiting lethal factor | MERCK & CO., INC. (US) | 2009-03-17 | — | — | US | disclosed |
| US-20080214553-A1 | 2-(4-Oxo-4H-Quinazolin-3-Yl) Acetamides and Their Use as Vasopressin V3 Antagonists | MERCK SHARP & DOHME B.V. (NL) | 2008-09-04 | — | — | US | disclosed |
| EP-1532121-B1 | NEW USE OF PYRIMIDINE - OR TRIAZINE- 2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY AND NOVEL PYRIMIDINE-2-CARBONITILE DERIVATIVES | ASTRAZENECA AB (SE) | 2007-02-14 | — | — | EP | disclosed |
| EP-1532121-A1 | NEW USE OF PYRIMIDINE - OR TRIAZINE- 2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY AND NOVEL PYRIMIDINE-2-CARBONITILE DERIVATIVES | AstraZeneca AB (SE) | 2005-05-25 | — | — | EP | disclosed |
| WO-2004000819-A1 | NEW USE OF PYRIMIDINE - OR TRIAZINE- 2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY AND NOVEL PYRIMIDINE-2-CARBONITILE DERIVATIVES | ASTRAZENECA AB (SE) | 2003-12-31 | — | — | WO | disclosed |
| US-5948780-A | ADMINISTERING A METALLOPROTEINASE INHIBITOR | WARNER-LAMBERT COMPANY (US) | 1999-09-07 | — | — | US | disclosed |