⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7741034 | 0.74 | — | — | |
| SCHEMBL10964311 | 0.67 | SLC6A2 (0.33) | — | |
| SCHEMBL11195966 | 0.67 | — | — | |
| SCHEMBL2200866 | 0.66 | — | — | |
| SCHEMBL7848508 | 0.66 | ALDH1A1 (0.31) | — | |
| SCHEMBL7538125 | 0.65 | TSHR (0.31) | — | |
| SCHEMBL1355929 | 0.63 | KDM4E (0.31) | — | |
| SCHEMBL7618766 | 0.63 | — | — | |
| SCHEMBL4047345 | 0.62 | ESR1 (0.36) | — | |
| SCHEMBL252674 | 0.62 | CYP1A2 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0304613-B1 | BENZOPYRAN DERIVATIVES | BASF Aktiengesellschaft (DE) | 1991-06-26 | — | — | EP | claimed |
| EP-0304613-A1 | Benzopyran derivatives | BASF Aktiengesellschaft (DE) | 1989-03-01 | — | — | EP | claimed |
| EP-0304613-B1 | BENZOPYRAN DERIVATIVES | BASF Aktiengesellschaft (DE) | 1991-06-26 | — | — | EP | disclosed |
| EP-0304613-A1 | Benzopyran derivatives | BASF Aktiengesellschaft (DE) | 1989-03-01 | — | — | EP | disclosed |