⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11654675 | 0.80 | — | — | |
| SCHEMBL9157520 | 0.78 | — | — | |
| SCHEMBL7432922 | 0.78 | — | — | |
| SCHEMBL30135430 | 0.74 | — | — | |
| SCHEMBL29269239 | 0.74 | — | — | |
| SCHEMBL9413210 | 0.73 | — | — | |
| SCHEMBL11655556 | 0.70 | — | — | |
| SCHEMBL11656095 | 0.70 | — | — | |
| SCHEMBL17683547 | 0.69 | — | — | |
| SCHEMBL10758304 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5648382-A | ANGIOGENESIS INHIBITOR | ADIR ET COMPAGNIE (FR) | 1997-07-15 | — | — | US | disclosed |
| CN-1138040-A | New cyclohexane compounds, process for their preparation and pharmaceutical compositions containing them | ADIR (FR) | 1996-12-18 | — | — | CN | disclosed |
| EP-0143613-B1 | PRODUCTION OF ISOCYANATE COMPOUNDS | NIPPON PAINT CO., LTD. (JP) | 1989-02-08 | — | — | EP | disclosed |
| EP-0204497-A1 | Polymerisation process employing compounds having polymerisable acylurethane structures | Nippon Paint Co., Ltd. (JP) | 1986-12-10 | — | — | EP | disclosed |