⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3657198 | 1.00 | — | — | |
| SCHEMBL1763449 | 0.84 | — | — | |
| SCHEMBL1763447 | 0.84 | — | — | |
| SCHEMBL361643 | 0.74 | — | — | |
| SCHEMBL1685077 | 0.74 | — | — | |
| SCHEMBL333324 | 0.74 | — | — | |
| SCHEMBL105368 | 0.74 | — | — | |
| SCHEMBL2464884 | 0.74 | — | — | |
| SCHEMBL14891650 | 0.72 | — | — | |
| SCHEMBL4454946 | 0.72 | CA2 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012169909-A1 | TRIAMINOCYCLOPROPENIUM SALTS | CURNOW OWEN JOHN (NZ) | 2012-12-13 | — | — | WO | disclosed |
| EP-2200962-A1 | BENZOCYCLOHEPTENE DERIVATIVES AS ESTROGENS HAVING SELECTIVE ACTIVITY | Bayer Schering Pharma Aktiengesellschaft (DE) | 2010-06-30 | — | — | EP | disclosed |
| US-20090099250-A1 | BENZOCYCLOHEPTENE DERIVATIVES AS ESTROGENS HAVING SELECTIVE ACTIVITY | BAYER SCHERING PHARMA AG (DE) | 2009-04-16 | — | — | US | disclosed |
| WO-2009047343-A1 | BENZOCYCLOHEPTENE DERIVATIVES AS ESTROGENS HAVING SELECTIVE ACTIVITY | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-04-16 | — | — | WO | disclosed |