⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16546099 | 0.84 | — | — | |
| SCHEMBL19038360 | 0.82 | — | — | |
| SCHEMBL15625416 | 0.78 | PGR (0.32) | — | |
| SCHEMBL12619499 | 0.77 | MEN1 (0.30) | — | |
| SCHEMBL17807476 | 0.77 | — | — | |
| SCHEMBL16546156 | 0.76 | — | — | |
| SCHEMBL1108695 | 0.76 | ALDH1A1 (0.38) | — | |
| SCHEMBL19038357 | 0.75 | — | — | |
| SCHEMBL16449477 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL12587556 | 0.74 | ESR2 (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-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 |