⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16546096 | 0.95 | — | — | |
| SCHEMBL16546100 | 0.86 | — | — | |
| SCHEMBL16546070 | 0.86 | NOS3 (0.33) | — | |
| SCHEMBL16546087 | 0.84 | ADORA1 (0.37) | — | |
| SCHEMBL16546089 | 0.76 | KDR (0.33) | — | |
| SCHEMBL16546079 | 0.75 | HSD17B1 (0.41) | — | |
| SCHEMBL2419709 | 0.74 | CES1 (0.36) | — | |
| SCHEMBL17122402 | 0.73 | ESR1 (0.39) | — | |
| SCHEMBL16546081 | 0.73 | — | — | |
| SCHEMBL12279756 | 0.73 | CES1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9147843-B2 | Organic semiconductor material | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2015-09-29 | — | — | US | disclosed |
| US-9147843-B2 | Organic semiconductor material | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2015-09-29 | — | — | US | disclosed |
| US-20150065671-A1 | ORGANIC SEMICONDUCTOR MATERIAL | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2015-03-05 | — | — | US | disclosed |
| US-20150065671-A1 | ORGANIC SEMICONDUCTOR MATERIAL | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2015-03-05 | — | — | US | disclosed |