⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11485594 | 0.61 | LRRK2 (0.73) | — | |
| SCHEMBL13845973 | 0.59 | — | — | |
| SCHEMBL633960 | 0.59 | GSK3B (0.48) | — | |
| SCHEMBL14560919 | 0.57 | — | — | |
| SCHEMBL14836217 | 0.57 | — | — | |
| SCHEMBL24840442 | 0.53 | ALOX5 (0.40) | — | |
| SCHEMBL4314822 | 0.53 | DAO (0.48) | — | |
| SCHEMBL10926488 | 0.52 | MEN1 (0.39) | — | |
| SCHEMBL9674007 | 0.50 | MEN1 (0.37) | — | |
| SCHEMBL446609 | 0.50 | — | — |
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-0885251-B1 | SUBSTITUTED POLYTHIOPHENES, PROCESSES FOR THEIR PREPARATION AND THEIR USE | BASF AG (DE) | 2001-08-16 | — | — | EP | disclosed |