⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14380225 | 0.77 | — | — | |
| SCHEMBL726977 | 0.76 | — | — | |
| SCHEMBL14533553 | 0.76 | — | — | |
| SCHEMBL727673 | 0.76 | — | — | |
| SCHEMBL726978 | 0.76 | — | — | |
| SCHEMBL23182767 | 0.76 | — | — | |
| SCHEMBL9797536 | 0.76 | — | — | |
| SCHEMBL9797544 | 0.76 | — | — | |
| SCHEMBL6972672 | 0.73 | — | — | |
| SCHEMBL21653744 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2021252775-A1 | HETEROCYCLIC COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN | CHDI FOUNDATION, INC. (US) | 2021-12-16 | — | — | WO | disclosed |
| EP-3330272-B1 | FUSED TRICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME (US) | 2021-02-17 | — | — | 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 |