⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL604100 | 0.80 | — | — | |
| SCHEMBL2241122 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL12479156 | 0.77 | — | — | |
| SCHEMBL28284127 | 0.74 | KCNA3 (0.37) | — | |
| Hydrochloric Acid SCHEMBL30655961 | 0.72 | CHRM3 (0.35) | — | |
| Tetrahydrofuran SCHEMBL17114599 | 0.71 | — | — | |
| SCHEMBL8132933 | 0.71 | ALDH1A1 (0.45) | — | |
| SCHEMBL6205702 | 0.70 | TP53 (0.36) | — | |
| SCHEMBL1127272 | 0.70 | — | — | |
| SCHEMBL10693822 | 0.69 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250059181-A1 | Tetrahydro-Pyrido-Pyrimidine Derivatives | NOVARTIS AG (CH) | 2025-02-20 | — | — | US | disclosed |
| WO-2023205272-A1 | PYRAZINAMIDE COMPOUNDS | THE GENERAL HOSPITAL CORPORATION (US) | 2023-10-26 | — | — | WO | disclosed |
| CN-113214201-B | Napapucasin derivatives and pharmaceutical application thereof | 毕庶壮 | 2023-08-15 | — | — | CN | disclosed |
| EP-4204411-A1 | MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN | Nalo Therapeutics (US) | 2023-07-05 | — | — | EP | disclosed |
| US-20220267318-A1 | Tetrahydro-Pyrido-Pyrimidine Derivatives | NOVARTIS AG (CH) | 2022-08-25 | — | — | US | disclosed |
| WO-2022046861-A1 | MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN | NALO THERAPEUTICS (US) | 2022-03-03 | — | — | WO | disclosed |
| EP-2970141-B1 | HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN | VERSEON CORP (US) | 2020-02-26 | — | — | EP | disclosed |
| US-20180186751-A1 | HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN | VERSEON INTERNATIONAL CORPORATION | 2018-07-05 | — | — | US | disclosed |
| US-9951025-B2 | Halogenopyrazoles as inhibitors of thrombin | VERSEON CORPORATION (US) | 2018-04-24 | — | — | US | disclosed |
| US-20160046585-A1 | HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN | VERSEON INTERNATIONAL CORPORATION | 2016-02-18 | — | — | US | disclosed |
| EP-2970141-A2 | HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN | Verseon Corporation (US) | 2016-01-20 | — | — | EP | disclosed |
| WO-2014149139-A2 | HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN | VERSEON, INC. (US) | 2014-09-25 | — | — | WO | disclosed |
| WO-2014146059-A1 | HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN | VERSEON, INC. (US) | 2014-09-18 | — | — | WO | disclosed |
| US-20120065183-A1 | Tetrahydro-Pyrido-Pyrimidine Derivatives | NOVARTIS AG (CH) | 2012-03-15 | — | — | US | disclosed |
| WO-2003042229-A1 | NON-AROMATIC HETEROCYCLIC ESTERS OF FURAN-2-ONE-ESTERS OF 17.BETA.-CARBOXYL OR 17.BETA.-CARBOTHIO GLUCOCORTICOIDS | GLAXO GROUP LIMITED (GB) | 2003-05-22 | — | — | WO | disclosed |
| WO-2003042230-A1 | NON-AROMATIC HETEROCYCLIC ESTERS OF FURAN-2-ONE-ESTERS OF 17. BETA.-CARBOXYL OR 17 . BETA. -CARBOTHIO GLUCOCORTICOIDS | GLAXO GROUP LIMITED (GB) | 2003-05-22 | — | — | WO | disclosed |