⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2954822 | 1.00 | — | — | |
| SCHEMBL13507259 | 0.72 | — | — | |
| SCHEMBL13507742 | 0.65 | — | — | |
| SCHEMBL16431206 | 0.65 | — | — | |
| SCHEMBL28124541 | 0.65 | — | — | |
| SCHEMBL15716844 | 0.63 | PDK2 (0.34) | — | |
| SCHEMBL7257768 | 0.60 | — | — | |
| SCHEMBL19326952 | 0.59 | — | — | |
| SCHEMBL732762 | 0.59 | — | — | |
| SCHEMBL11451525 | 0.59 | CYP3A4 (0.31) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-60132975-A | — | — | None | — | — | JP | disclosed |
| US-7759399-B2 | Pharmaceutical compositions | CRAWFORD HEALTHCARE HOLDINGS LIMITED (GB) | 2010-07-20 | — | — | US | disclosed |
| US-7759399-B2 | Pharmaceutical compositions | CRAWFORD HEALTHCARE HOLDINGS LIMITED (GB) | 2010-07-20 | — | — | US | disclosed |
| US-7759399-B2 | Pharmaceutical compositions | CRAWFORD HEALTHCARE HOLDINGS LIMITED (GB) | 2010-07-20 | — | — | US | disclosed |
| US-20060252839-A1 | Pharmaceutical compositions | BIOGEM S.C.A.R.L. (IT) | 2006-11-09 | — | — | US | disclosed |
| EP-1487789-A2 | IMPROVEMENTS IN PHARMACEUTICAL COMPOSITIONS | Charterhouse Therapeutics Ltd. (GB) | 2004-12-22 | — | — | EP | disclosed |
| WO-2003082813-A2 | IMPROVEMENTS IN PHARMACEUTICAL COMPOSITIONS | CHARTERHOUSE THERAPEUTICS LIMITED (GB) | 2003-10-09 | — | — | WO | disclosed |
| JP-S60132975-A | CYCLOPENTENONE ETHER DERIVATIVE AND ITS PRODUCTION | SUMITOMO CHEM CO LTD | 1985-07-16 | — | — | JP | disclosed |