⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6344243 | 0.75 | ALDH1A1 (0.53) | — | |
| SCHEMBL74466 | 0.73 | — | — | |
| SCHEMBL27343046 | 0.73 | — | — | |
| SCHEMBL979808 | 0.73 | — | — | |
| SCHEMBL37987 | 0.71 | ALDH1A1 (1.00) | — | |
| SCHEMBL7578673 | 0.71 | — | — | |
| SCHEMBL6346189 | 0.71 | ALDH1A1 (0.47) | — | |
| SCHEMBL19604240 | 0.69 | — | — | |
| SCHEMBL23109118 | 0.69 | ALDH1A1 (0.45) | — | |
| SCHEMBL10973808 | 0.69 | TDP1 (0.53) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116848113-A | Bicyclic compounds as HPK1 inhibitors and application thereof | 南京再明医药有限公司 | 2023-10-03 | — | — | CN | disclosed |
| WO-2022171034-A1 | BICYCLIC COMPOUND AS HPK1 INHIBITOR AND APPLICATION THEREOF | 江苏先声药业有限公司 | 2022-08-18 | — | — | WO | disclosed |
| US-8987195-B2 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2015-03-24 | — | — | US | disclosed |
| US-8987195-B2 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2015-03-24 | — | — | US | disclosed |
| US-20140057836-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME LLC | 2014-02-27 | — | — | US | disclosed |
| US-20140057836-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME LLC | 2014-02-27 | — | — | US | disclosed |
| WO-2014025736-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-02-13 | — | — | WO | disclosed |
| WO-2002094771-A1 | PROCESS FOR THE PRODUCTION OF A SULPHUR-CONTAINING COMPOUND | ADISSEO FRANCE S.A.S. (FR) | 2002-11-28 | — | — | WO | disclosed |
| EP-1260500-A1 | Process for the production of a sulphur-containing organic compound | AVENTIS ANIMAL NUTRITION S.A. (FR) | 2002-11-27 | — | — | EP | disclosed |