⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2562492 | 0.79 | — | — | |
| SCHEMBL6681689 | 0.78 | ALDH1A1 (0.38) | — | |
| SCHEMBL1647573 | 0.75 | HDAC1 (0.35) | — | |
| SCHEMBL2175860 | 0.75 | GABRA1 (0.32) | — | |
| SCHEMBL245979 | 0.75 | ALDH1A1 (0.49) | — | |
| SCHEMBL4468172 | 0.74 | — | — | |
| SCHEMBL3629369 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL1442195 | 0.72 | TYRO3 (0.32) | — | |
| SCHEMBL459457 | 0.70 | — | — | |
| SCHEMBL13859499 | 0.70 | CYP1A2 (0.33) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023235305-A2 | SULFONYL CYCLIC DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF | Lysoway Therapeutics, Inc. (US) | 2023-12-07 | — | — | WO | disclosed |
| US-20210276977-A1 | BICYCLIC INHIBITORS OF HISTONE DEACETYLASE | ALKERMES, INC. | 2021-09-09 | — | — | US | disclosed |
| EP-3820863-A1 | BICYCLIC INHIBITORS OF HISTONE DEACETYLASE | Alkermes, Inc. (US) | 2021-05-19 | — | — | EP | disclosed |
| EP-3634964-A1 | PYRAZOLOPYRIMIDINE PDE9 INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2020-04-15 | — | — | EP | disclosed |
| EP-3606915-A1 | 2-AMINO-5-OXYALKYL-PYRIMIDINE DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH | Bayer CropScience Aktiengesellschaft (DE) | 2020-02-12 | — | — | EP | disclosed |
| WO-2018226771-A1 | PYRAZOLOPYRIMIDINE PDE9 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-12-13 | — | — | WO | disclosed |
| WO-2018184978-A1 | 2-AMINO-5-OXYALKYL-PYRIMIDINE DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2018-10-11 | — | — | WO | disclosed |
| EP-2744803-A2 | SUBSTITUTED HETEROCYCLIC AMINE COMPOUNDS AS CHOLESTRYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS | Dr. Reddy's Laboratories Ltd. (IN) | 2014-06-25 | — | — | EP | disclosed |
| WO-2013024358-A2 | SUBSTITUTED HETEROCYCLIC AMINE COMPOUNDS AS CHOLESTRYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS | DR. REDDY'S LABORATORIES LTD. (IN) | 2013-02-21 | — | — | WO | disclosed |
| WO-2012086735-A1 | CONDENSED HETEROCYCLIC COMPOUND | 大正製薬株式会社 (JP) | 2012-06-28 | — | — | WO | disclosed |
| EP-2393804-A1 | NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS | Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) | 2011-12-14 | — | — | EP | disclosed |
| EP-2379513-A1 | HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010127152-A2 | COMPOUNDS AND COMPOSITIONS AS MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 INHIBITORS | IRM LLC (BM) | 2010-11-04 | — | — | WO | disclosed |
| WO-2010089292-A1 | NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS | ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) | 2010-08-12 | — | — | WO | disclosed |
| WO-2010078408-A1 | HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS | BIOGEN IDEC MA INC. (US) | 2010-07-08 | — | — | WO | disclosed |
| EP-2167497-A2 | HETEROCYCLIC COMPOUNDS USEFUL AS RAF KINASE INHIBITORS | Sunesis Pharmaceuticals, Inc. (US) | 2010-03-31 | — | — | EP | disclosed |
| EP-2167489-A2 | PYRIMIDINE DERIVATIVES USEFUL AS RAF KINASE INHIBITORS | Sunesis Pharmaceuticals, Inc. (US) | 2010-03-31 | — | — | EP | disclosed |
| WO-2009006404-A2 | HETEROCYCLIC COMPOUNDS USEFUL AS RAF KINASE INHIBITORS | SUNESIS PHARMACEUTICALS, INC. (US) | 2009-01-08 | — | — | WO | disclosed |
| WO-2009006389-A2 | PYRIMIDINE DERIVATIVES USEFUL AS RAF KINASE INHIBITORS | SUNESIS PHARMACEUTICALS, INC. (US) | 2009-01-08 | — | — | WO | disclosed |