⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12711283 | 0.79 | NPC1 (0.32) | — | |
| SCHEMBL12711272 | 0.79 | — | — | |
| SCHEMBL12711309 | 0.78 | — | — | |
| SCHEMBL12711512 | 0.77 | — | — | |
| SCHEMBL12711317 | 0.76 | CYP2A6 (0.39) | — | |
| SCHEMBL16355296 | 0.75 | — | — | |
| SCHEMBL14479816 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL13407303 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL12711388 | 0.73 | HSD17B1 (0.33) | — | |
| SCHEMBL12711299 | 0.72 | ESR1 (0.38) | — |
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 |