⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13723097 | 0.84 | — | — | |
| SCHEMBL12711271 | 0.79 | NOS3 (0.33) | — | |
| SCHEMBL12711280 | 0.79 | KDR (0.32) | — | |
| SCHEMBL12711343 | 0.78 | KDR (0.31) | — | |
| SCHEMBL12711508 | 0.78 | — | — | |
| SCHEMBL12711315 | 0.77 | CYP2A6 (0.38) | — | |
| SCHEMBL12711392 | 0.74 | HSD17B1 (0.32) | — | |
| SCHEMBL13407303 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL12711543 | 0.73 | — | — | |
| SCHEMBL12711555 | 0.69 | NOTUM (0.31) | — |
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-20110087034-A1 | Organic Semiconductor Material | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2011-04-14 | — | — | US | disclosed |
| US-20110087034-A1 | Organic Semiconductor Material | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2011-04-14 | — | — | US | disclosed |