⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10078986 | 0.94 | LMNA (0.42) | — | |
| SCHEMBL10078318 | 0.92 | LMNA (0.46) | — | |
| Water SCHEMBL26669930 | 0.89 | LMNA (0.44) | — | |
| SCHEMBL16508774 | 0.78 | LMNA (0.40) | — | |
| SCHEMBL25105655 | 0.76 | CHRM2 (0.37) | — | |
| SCHEMBL10079086 | 0.76 | — | — | |
| SCHEMBL31732568 | 0.76 | OPRM1 (0.31) | — | |
| SCHEMBL10079085 | 0.76 | HTR2A (0.33) | — | |
| SCHEMBL5022562 | 0.74 | — | — | |
| SCHEMBL22967862 | 0.74 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021023247-A1 | KRAS MUTANT PROTEIN INHIBITOR | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2021-02-11 | — | — | WO | disclosed |
| US-8222274-B2 | Pyrrole derivative or salt thereof | ASTELLAS PHARMA INC. (JP) | 2012-07-17 | — | — | US | disclosed |
| EP-1988075-B1 | PYRROLE DERIVATIVE OR SALT THEREOF | ASTELLAS PHARMA INC (JP) | 2012-01-25 | — | — | EP | disclosed |
| US-20110294780-A1 | SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2011-12-01 | — | — | US | disclosed |
| EP-1846366-B1 | NORVALINE DERIVATIVE AND METHOD FOR PREPARATION THEREOF | MITSUBISHI TANABE PHARMA CORP (JP) | 2011-08-03 | — | — | EP | disclosed |
| US-7985764-B2 | Amide derivative or salt thereof | ASTELLAS PHARMA INC. (JP) | 2011-07-26 | — | — | US | disclosed |
| US-7718703-B2 | Norvaline derivative and method for preparation thereof | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2010-05-18 | — | — | US | disclosed |
| US-7718703-B2 | Norvaline derivative and method for preparation thereof | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2010-05-18 | — | — | US | disclosed |
| US-20090062363-A1 | AMIDE DERIVATIVE OR SALT THEREOF | ASTELLAS PHARMA INC. (JP) | 2009-03-05 | — | — | US | disclosed |
| US-20090036421-A1 | Pyrrole Derivative or Salt Thereof | ASTELLAS PHARMA INC (JP) | 2009-02-05 | — | — | US | disclosed |
| EP-1988076-A1 | AMIDE DERIVATIVE OR SALT THEREOF | Astellas Pharma Inc. (JP) | 2008-11-05 | — | — | EP | disclosed |
| US-20080076769-A1 | Norvaline Derivative and Method for Preparation Thereof | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2008-03-27 | — | — | US | disclosed |
| US-20080076769-A1 | Norvaline Derivative and Method for Preparation Thereof | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2008-03-27 | — | — | US | disclosed |