⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10028803 | 0.95 | — | — | |
| SCHEMBL11891072 | 0.81 | MEN1 (0.35) | — | |
| SCHEMBL12546248 | 0.80 | — | — | |
| SCHEMBL12567048 | 0.75 | PKM (0.31) | — | |
| SCHEMBL12546245 | 0.75 | — | — | |
| SCHEMBL10062429 | 0.74 | PKM (0.30) | — | |
| SCHEMBL1611118 | 0.72 | — | — | |
| SCHEMBL12019922 | 0.72 | PKM (0.31) | — | |
| SCHEMBL12110137 | 0.70 | GABRA1 (0.32) | — | |
| SCHEMBL11910104 | 0.70 | — | — |
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-8466460-B2 | Fused bithiophene-vinylene polymers | BASF SE (DE) | 2013-06-18 | — | — | US | disclosed |
| US-20120074410-A1 | FUSED BITHIOPHENE-VINYLENE POLYMERS | POLYERA CORPORATION (US) | 2012-03-29 | — | — | US | disclosed |