⚠ 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 | |
|---|---|---|---|---|
| Thiophene SCHEMBL716369 | 0.79 | GPR35 (0.33) | — | |
| Thiophene SCHEMBL15754567 | 0.79 | GPR35 (0.33) | — | |
| Phenanthrene SCHEMBL28589451 | 0.78 | ALDH1A1 (0.60) | — | |
| SCHEMBL28875424 | 0.73 | ALDH1A1 (0.42) | — | |
| Benzothiophene SCHEMBL14362147 | 0.73 | CA12 (0.39) | — | |
| SCHEMBL29352476 | 0.69 | KDM4E (0.45) | — | |
| SCHEMBL164774 | 0.67 | CYP2A6 (0.50) | — | |
| SCHEMBL30083745 | 0.66 | — | — | |
| SCHEMBL219449 | 0.66 | — | — | |
| SCHEMBL29733485 | 0.65 | KDM4E (0.42) | — |
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-11895910-B2 | Organic compound and photoelectric conversion element | CANON KABUSHIKI KAISHA (JP) | 2024-02-06 | — | — | US | disclosed |
| US-10000513-B2 | Thienothiophene—boron (donor-acceptor) based materials for organic light emitting diodes | TUBITAK (TR) | 2018-06-19 | — | — | US | disclosed |