⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9527979 | 0.96 | — | — | |
| SCHEMBL9527999 | 0.91 | — | — | |
| SCHEMBL9528005 | 0.89 | — | — | |
| SCHEMBL9754208 | 0.87 | — | — | |
| SCHEMBL9754293 | 0.86 | — | — | |
| SCHEMBL9754207 | 0.85 | — | — | |
| SCHEMBL9527894 | 0.84 | — | — | |
| SCHEMBL9526729 | 0.82 | — | — | |
| SCHEMBL9526630 | 0.82 | — | — | |
| SCHEMBL9526793 | 0.81 | — | — |
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-0447285-B1 | NAPHTHALENE DERIVATIVES, PROCEDURE FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ADIR ET COMPAGNIE (FR) | 1993-05-12 | — | — | EP | claimed |
| EP-0447285-A1 | Naphthalene derivatives, procedure for their preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1991-09-18 | — | — | EP | claimed |
| EP-0523141-A4 | SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES | — | 1993-04-21 | — | — | EP | disclosed |
| EP-0523141-A1 | SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES | MERCK & CO. INC. (US) | 1993-01-20 | — | — | EP | disclosed |
| WO-1991015479-A1 | SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES | MERCK & CO., INC. (US) | 1991-10-17 | — | — | WO | disclosed |