⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27673339 | 0.82 | — | — | |
| SCHEMBL27627220 | 0.79 | HCAR2 (0.31) | — | |
| SCHEMBL28793715 | 0.77 | CDK1 (0.40) | — | |
| SCHEMBL27413353 | 0.77 | HCAR2 (0.41) | — | |
| SCHEMBL27797795 | 0.76 | TP53 (0.32) | — | |
| SCHEMBL28327146 | 0.76 | — | — | |
| SCHEMBL10401170 | 0.76 | — | — | |
| SCHEMBL28289418 | 0.76 | STK25 (0.36) | — | |
| SCHEMBL28089341 | 0.76 | HCAR2 (0.39) | — | |
| SCHEMBL28888382 | 0.74 | MAPK1 (0.32) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110167935-A | The propionic acid that 3- as α V integrin inhibitors is substituted | 百时美施贵宝公司 | 2019-08-23 | — | — | CN | disclosed |
| CN-110062758-A | BICYCLIC DIHYDROPYRIMIDINE-CARBOXAMIDE DERIVATIVES AS RHO-KINASE INHIBITORS | 奇斯药制品公司 | 2019-07-26 | — | — | CN | disclosed |
| CN-110049982-A | Heterocyclic FXR regulator | 合帕吉恩治疗公司 | 2019-07-23 | — | — | CN | disclosed |
| CN-105189511-A | Inhibitors of human immunodeficiency virus replication | BRISTOL MYERS SQUIBB CO | 2015-12-23 | — | — | CN | disclosed |
| CN-105189510-A | Inhibitors of human immunodeficiency virus replication | BRISTOL MYERS SQUIBB CO | 2015-12-23 | — | — | CN | disclosed |
| CN-105008369-A | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BRISTOL MYERS SQUIBB CO | 2015-10-28 | — | — | CN | disclosed |