⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18879294 | 0.77 | — | — | |
| SCHEMBL21718292 | 0.75 | — | — | |
| SCHEMBL24960141 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL21389694 | 0.73 | — | — | |
| SCHEMBL22964877 | 0.71 | — | — | |
| SCHEMBL23370786 | 0.70 | — | — | |
| SCHEMBL25696525 | 0.70 | — | — | |
| SCHEMBL25097011 | 0.70 | TSHR (0.37) | — | |
| SCHEMBL21534518 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL18558971 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9943519-B2 | Pharmaceutical compounds | GENENTECH, INC. (US) | 2018-04-17 | — | — | US | disclosed |
| EP-3144292-A1 | 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF | SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD (US) | 2017-03-22 | — | — | EP | disclosed |