⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4644772 | 0.82 | CYP2A6 (0.34) | — | |
| SCHEMBL4643410 | 0.73 | CYP2A6 (0.34) | — | |
| SCHEMBL2092545 | 0.64 | CYP1A2 (0.42) | — | |
| SCHEMBL17140136 | 0.64 | CTSG (0.35) | — | |
| SCHEMBL6127812 | 0.63 | KDM4E (0.33) | — | |
| SCHEMBL9616005 | 0.63 | CYP3A4 (0.36) | — | |
| SCHEMBL23584362 | 0.61 | CYP3A4 (0.34) | — | |
| SCHEMBL787846 | 0.60 | CYP2A6 (0.42) | — | |
| SCHEMBL2092335 | 0.60 | MAPK1 (0.37) | — | |
| SCHEMBL29908309 | 0.60 | CYP2A6 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1298130-B1 | 3-HYDROXYMETHYLBENZO B THIOPHENE DERIVATIVES AND PROCESS FOR THEIR PREPARATION | TEIJIN PHARMA LTD (JP) | 2008-08-13 | — | — | EP | disclosed |