⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8579339 | 0.70 | — | — | |
| SCHEMBL1650923 | 0.65 | — | — | |
| SCHEMBL8085689 | 0.64 | — | — | |
| SCHEMBL23740323 | 0.61 | — | — | |
| SCHEMBL8750610 | 0.60 | — | — | |
| SCHEMBL350156 | 0.60 | — | — | |
| SCHEMBL8588849 | 0.60 | — | — | |
| SCHEMBL27441832 | 0.60 | — | — | |
| SCHEMBL380104 | 0.60 | — | — | |
| SCHEMBL1064651 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0110434-B1 | STEROID INTERMEDIATES SUBSTITUTED AT POSITION 11, AND PROCESS FOR THEIR PREPARATION | ROUSSEL-UCLAF (FR) | 1986-10-29 | — | — | EP | claimed |
| US-8748610-B2 | Compounds as TRPV1 antagonists, pharmaceutical compositions and medical uses thereof | FL THERAPEUTICS LLC (US) | 2014-06-10 | — | — | US | disclosed |
| US-20120184509-A1 | Compounds as TRVP1 Blockers, Pharmaceutical Compositions and Medical Uses Thereof | ZHUHAI BEIHAI BIOTECH CO., LTD. (CN) | 2012-07-19 | — | — | US | disclosed |