⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12398487 | 0.73 | — | — | |
| SCHEMBL12398389 | 0.59 | — | — | |
| SCHEMBL22792908 | 0.58 | NR3C1 (0.30) | — | |
| SCHEMBL11947207 | 0.55 | DGAT1 (0.30) | — | |
| SCHEMBL10139171 | 0.55 | DYRK1A (0.32) | — | |
| SCHEMBL4754840 | 0.55 | — | — | |
| SCHEMBL26424498 | 0.54 | GRM4 (0.30) | — | |
| SCHEMBL889114 | 0.54 | DHFR (0.35) | — | |
| SCHEMBL26777968 | 0.53 | CDK1 (0.33) | — | |
| SCHEMBL24198307 | 0.53 | TDO2 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210100802-A1 | HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS | ACEA Therapeutics, Inc. (US) | 2021-04-08 | — | — | US | disclosed |