⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2966758 | 1.00 | ALDH1A1 (0.36) | — | |
| SCHEMBL2974309 | 1.00 | ALDH1A1 (0.36) | — | |
| SCHEMBL2972497 | 1.00 | ALDH1A1 (0.36) | — | |
| SCHEMBL218305 | 1.00 | — | — | |
| SCHEMBL2971655 | 1.00 | ALDH1A1 (0.36) | — | |
| SCHEMBL2974460 | 1.00 | — | — | |
| SCHEMBL2970770 | 1.00 | ALDH1A1 (0.36) | — | |
| SCHEMBL2962379 | 1.00 | ALDH1A1 (0.36) | — | |
| SCHEMBL2972603 | 1.00 | ALDH1A1 (0.36) | — | |
| SCHEMBL1797081 | 0.95 | — | — |
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 134 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113651836-B | Organic compound and organic electroluminescent device containing same | 清华大学 | 2023-05-12 | — | — | CN | claimed |
| CN-111943949-B | Organic compound, application thereof and organic electroluminescent device containing compound | 清华大学 | 2022-05-20 | — | — | CN | claimed |
| CN-111943949-A | Organic compound, application thereof and organic electroluminescent device containing organic compound | 清华大学 | 2020-11-17 | — | — | CN | claimed |
| CN-113651836-B | Organic compound and organic electroluminescent device containing same | 清华大学 | 2023-05-12 | — | — | CN | disclosed |
| CN-111943949-B | Organic compound, application thereof and organic electroluminescent device containing compound | 清华大学 | 2022-05-20 | — | — | CN | disclosed |
| CN-111943949-A | Organic compound, application thereof and organic electroluminescent device containing organic compound | 清华大学 | 2020-11-17 | — | — | CN | disclosed |
| CN-110746425-A | Novel organic compound and application thereof | 清华大学 | 2020-02-04 | — | — | CN | disclosed |
| EP-1794129-B1 | Synthesis by chiral diamine-mediated asymmetric alkylation | JANSSEN PHARMACEUTICA NV (BE) | 2015-12-30 | — | — | EP | disclosed |
| US-20140179924-A1 | Process for the preparation of cathepsin S inhibitors | JANSSEN PHARMACEUTICA NV (US) | 2014-06-26 | — | — | US | disclosed |
| EP-1737297-B1 | IMIDAZOLE COMPOUNDS | JANSSEN PHARMACEUTICA NV (BE) | 2012-12-19 | — | — | EP | disclosed |
| US-8242275-B2 | Bicyclic pyrazole compounds as antibacterial agents | JANSSEN PHARMACEUTICA NV (BE) | 2012-08-14 | — | — | US | disclosed |
| US-6635633-B2 | Substituted pyrazoles | ORTHO-PHARMACEUTICAL, INC. | 2003-10-21 | — | — | US | disclosed |
| US-20030176438-A1 | Substituted benzimidazoles and imidazo-[4,5]-pyridines | ORTHOMCNEIL PHARMACEUTICAL, INC. | 2003-09-18 | — | — | US | disclosed |
| US-6583155-B2 | Administering 2-(1-(3-(5-Acetyl-3-(4-chloro-phenyl)-4,5,6,7-tetrahydro-pyrazolo-(4,3 -c)pyridin-1-yl)-2-hydroxy-propyl)-piperidin-4-ylamino)-benzonitrile for inhibiting cathepsins; for treating atopic diseases | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2003-06-24 | — | — | US | disclosed |
| US-6579896-B2 | Immunology response; autoimmune disease | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2003-06-17 | — | — | US | disclosed |
| US-20030073672-A1 | Method for treating allergies using substituted pyrazoles | ORTHO MCNEIL PHARMACEUTICAL, INC. | 2003-04-17 | — | — | US | disclosed |
| EP-1201235-A1 | NEUROPATHY IMPROVERS CONTAINING NITROGENOUS COMPOUNDS AS THE ACTIVE INGREDIENT | TEIJIN LIMITED (JP) | 2002-05-02 | — | — | EP | disclosed |
| US-20020040019-A1 | Substituted pyrazoles | ORTHO MCNEIL PHARMACEUTICAL, INC. | 2002-04-04 | — | — | US | disclosed |
| US-20020006934-A1 | Phenyl-substituted imidazopyridines | ORTHO MCNEIL PHARMACEUTICAL, INC. | 2002-01-17 | — | — | US | disclosed |
| US-20010051632-A1 | Phenyl-substituted indolizines and tetrahydroindolizines | ORTHO MCNEIL PHARMACEUTICAL, INC. | 2001-12-13 | — | — | US | disclosed |