⚠ 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 SCHEMBL7777208 | 0.98 | — | — | |
| SCHEMBL6505987 | 0.73 | KDM4E (0.35) | — | |
| SCHEMBL8770709 | 0.69 | — | — | |
| SCHEMBL27712951 | 0.67 | — | — | |
| Bromide SCHEMBL8154456 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL760404 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL30387660 | 0.63 | — | — | |
| SCHEMBL29449375 | 0.63 | — | — | |
| SCHEMBL10711200 | 0.62 | — | — | |
| SCHEMBL4743792 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102686221-A | Method of treating pain | TRIGEMINA INC | 2012-09-19 | — | — | CN | disclosed |
| CN-102307895-A | Methods and compositions for treating or preventing narcotic withdrawal symptoms | UNIV LELAND STANFORD JUNIOR | 2012-01-04 | — | — | CN | disclosed |
| EP-1129072-A2 | N-SUBSTITUTED AZACYCLES, THEIR PREPARATION AND THEIR USE AS ORL-1 RECEPTOR LIGANDS | Smithkline Beecham S.p.A. (IT) | 2001-09-05 | — | — | EP | disclosed |
| WO-2000027815-A2 | N-SUBSTITUTED AZACYCLES, THEIR PREPARATION AND THEIR USE AS ORL-1 RECEPTOR LIGANDS | SMITHKLINE BEECHAM SPA (IT) | 2000-05-18 | — | — | WO | disclosed |