⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15069877 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL15069875 | 0.79 | — | — | |
| SCHEMBL15069879 | 0.79 | — | — | |
| SCHEMBL10045627 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL15025856 | 0.70 | ADORA2A (0.34) | — | |
| SCHEMBL12397408 | 0.69 | APP (0.32) | — | |
| SCHEMBL15069878 | 0.69 | CYP2A6 (0.38) | — | |
| SCHEMBL12397406 | 0.65 | ESR1 (0.38) | — | |
| SCHEMBL18177612 | 0.62 | CYP1A1 (0.36) | — | |
| SCHEMBL15220266 | 0.59 | S100A4 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130161568-A1 | Anthra[2,3-b:7,6-b']dithiophene Derivatives and their Use as Organic Semiconductors | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2013-06-27 | — | — | US | disclosed |