⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18944409 | 0.84 | TSHR (0.31) | — | |
| SCHEMBL25710431 | 0.78 | — | — | |
| SCHEMBL12534616 | 0.76 | — | — | |
| SCHEMBL14214223 | 0.76 | — | — | |
| SCHEMBL14549481 | 0.73 | CYP2A6 (0.36) | — | |
| SCHEMBL24894688 | 0.73 | — | — | |
| SCHEMBL13770581 | 0.71 | — | — | |
| SCHEMBL22785958 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL12181513 | 0.71 | TRPA1 (0.31) | — | |
| SCHEMBL21574746 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2617420-A1 | Phenoxymethyl heterocyclic compounds | Envivo Pharmaceuticals, Inc. (US) | 2013-07-24 | — | — | EP | disclosed |
| US-20070032653-A1 | N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) | 2007-02-08 | — | — | US | disclosed |