⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1397057 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL10989493 | 0.68 | CDK1 (0.32) | — | |
| SCHEMBL14983556 | 0.68 | ALDH1A1 (0.30) | — | |
| SCHEMBL29556678 | 0.68 | CYP1A2 (0.35) | — | |
| SCHEMBL22239155 | 0.68 | — | — | |
| SCHEMBL15065760 | 0.68 | CYP1A2 (0.35) | — | |
| SCHEMBL10987733 | 0.65 | LMNA (0.44) | — | |
| SCHEMBL10990838 | 0.65 | XDH (0.41) | — | |
| SCHEMBL10990458 | 0.63 | GAA (0.45) | — | |
| SCHEMBL15338130 | 0.63 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3889152-A1 | HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF | Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) | 2021-10-06 | — | — | EP | disclosed |