⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12924284 | 0.81 | MAPK14 (0.30) | — | |
| SCHEMBL12924378 | 0.81 | MAPK14 (0.30) | — | |
| SCHEMBL12924339 | 0.77 | RARB (0.32) | — | |
| SCHEMBL12924376 | 0.76 | MAPK14 (0.32) | — | |
| SCHEMBL12924307 | 0.69 | ESR1 (0.42) | — | |
| SCHEMBL12924298 | 0.69 | ESR1 (0.42) | — | |
| SCHEMBL12924331 | 0.68 | MAPK14 (0.32) | — | |
| SCHEMBL12924344 | 0.68 | MAPK14 (0.32) | — | |
| SCHEMBL12924291 | 0.66 | MAPK14 (0.30) | — | |
| SCHEMBL12924328 | 0.66 | HSD17B1 (0.35) | — |
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-8294144-B2 | Organic transistor | YAMAMOTO CHEMICALS, INC. (JP) | 2012-10-23 | — | — | US | disclosed |