⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7717797 | 0.82 | PTGIR (0.41) | — | |
| SCHEMBL7718298 | 0.80 | TRPA1 (0.32) | — | |
| SCHEMBL7779651 | 0.77 | PTGIR (0.35) | — | |
| SCHEMBL7483555 | 0.76 | CYP2A6 (0.38) | — | |
| SCHEMBL7720307 | 0.76 | DRD2 (0.35) | — | |
| SCHEMBL7776665 | 0.76 | SIGMAR1 (0.41) | — | |
| SCHEMBL7717808 | 0.75 | PTGIR (0.31) | — | |
| SCHEMBL7055364 | 0.75 | PTGER1 (0.40) | — | |
| SCHEMBL7778642 | 0.75 | PTGER1 (0.40) | — | |
| SCHEMBL7717820 | 0.74 | RXRA (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6384072-B1 | CARBAMYL SUBSTITUTED COMPOUNDS WITH ETHER GROUPS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-05-07 | — | — | US | disclosed |
| EP-1030834-A1 | BENZOCYCLOHEPTENE DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-08-30 | — | — | EP | disclosed |
| WO-1999024397-A1 | BENZOCYCLOHEPTENE DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1999-05-20 | — | — | WO | disclosed |