⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10103919 | 1.00 | — | — | |
| SCHEMBL13626156 | 0.88 | — | — | |
| SCHEMBL4533937 | 0.80 | — | — | |
| SCHEMBL18533315 | 0.79 | — | — | |
| SCHEMBL577932 | 0.76 | TRPV1 (0.36) | — | |
| SCHEMBL10575988 | 0.73 | — | — | |
| SCHEMBL11086768 | 0.73 | — | — | |
| SCHEMBL483389 | 0.71 | — | — | |
| SCHEMBL9114313 | 0.71 | — | — | |
| SCHEMBL832258 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102892765-B | Cyclohexylamine derivatives having beta 2 adrenergic agonist and M3 muscarinic antagonist activity | ALMIRALL SA | 2015-04-29 | — | — | CN | disclosed |
| US-8101658-B2 | Nitric oxide donating prostamides | NICOX S.A. (FR) | 2012-01-24 | — | — | US | disclosed |
| US-20110092590-A1 | NITRIC OXIDE DONATING PROSTAMIDES | NICOX S.A. (FR) | 2011-04-21 | — | — | US | disclosed |