⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1626773 | 1.00 | — | — | |
| SCHEMBL1265631 | 1.00 | — | — | |
| SCHEMBL7385907 | 0.93 | FFAR3 (0.39) | — | |
| SCHEMBL15114541 | 0.93 | FFAR3 (0.39) | — | |
| SCHEMBL16369943 | 0.91 | FFAR3 (0.37) | — | |
| Hydrochloric Acid SCHEMBL10338057 | 0.91 | FFAR3 (0.37) | — | |
| SCHEMBL16369946 | 0.91 | FFAR3 (0.37) | — | |
| SCHEMBL24780845 | 0.83 | — | — | |
| SCHEMBL9658533 | 0.83 | GLS (0.40) | — | |
| SCHEMBL13317636 | 0.83 | — | — |
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-2771329-B1 | NOVEL DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED DISEASES | GALDERMA RES & DEV (FR) | 2016-03-16 | — | — | EP | disclosed |
| EP-0006449-B1 | 2-(2-ALKOXYETHYL)-2'-HYDROXY-6.7-BENZOMORPHANE DERIVATIVES, THEIR ACID ADDITION SALTS, MEDICAMENTS CONTAINING THEM AND PROCESS FOR THEIR PREPARATION | C.H. BOEHRINGER SOHN (DE) | 1982-12-08 | — | — | EP | disclosed |
| US-4293556-A | Analgesic 2-(2-alkoxy-ethyl)-2'-hydroxy-6,7-benzomorphans and salts thereof | BOEHRINGER INGELHEIM GMBH (DE) | 1981-10-06 | — | — | US | disclosed |