⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4875489 | 0.73 | — | — | |
| SCHEMBL9847743 | 0.66 | GSK3A (0.40) | — | |
| SCHEMBL10952924 | 0.63 | — | — | |
| SCHEMBL1119424 | 0.63 | TRPA1 (0.59) | — | |
| SCHEMBL16261114 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL8588251 | 0.61 | TRPA1 (0.57) | — | |
| SCHEMBL2219404 | 0.60 | — | — | |
| SCHEMBL10597586 | 0.59 | — | — | |
| SCHEMBL7504908 | 0.59 | — | — | |
| SCHEMBL1199564 | 0.58 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2077846-B1 | BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE | PIRAMAL LIFE SCIENCES LTD (IN) | 2011-10-12 | — | — | EP | disclosed |
| WO-2008053446-A2 | BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE | PIRAMAL LIFE SCIENCES LIMITED (IN) | 2008-05-08 | — | — | WO | disclosed |
| WO-2004007469-A1 | NEW ALKYNYLATED QUINAZOLIN COMPOUNDS AS MMP-13 INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-01-22 | — | — | WO | disclosed |
| EP-0044419-A1 | Fire-proof polyamide mouldings | BAYER AG (DE) | 1982-01-27 | — | — | EP | disclosed |
| EP-0044417-A2 | Triazolidine-3,5-dione condensed with amine-formaldehyde, and its preparation | BAYER AG (DE) | 1982-01-27 | — | — | EP | disclosed |