⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL776267 | 0.74 | ALDH1A1 (0.41) | — | |
| SCHEMBL28604797 | 0.74 | ALDH1A1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL29022150 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL15259593 | 0.68 | TSHR (0.33) | — | |
| SCHEMBL18608110 | 0.65 | HSD11B1 (0.43) | — | |
| SCHEMBL1315186 | 0.64 | — | — | |
| SCHEMBL10055927 | 0.64 | — | — | |
| SCHEMBL10056070 | 0.64 | — | — | |
| SCHEMBL31454764 | 0.63 | CYP2C19 (0.35) | — | |
| Zinc Ion SCHEMBL8974979 | 0.61 | BCAT2 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-59031753-A | — | — | None | — | — | JP | disclosed |
| EP-0096006-A3 | 3-(UREIDOCYCLOHEXYLAMINO)-PROPANE-1,2-DIOL DERIVATIVES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS CONTAINING THESE COMPOUNDS AND THEIR THERAPEUTICAL USE | CIBA-GEIGY AG (CH) | 1984-12-19 | — | — | EP | disclosed |
| JP-S5931753-A | 3-(UREIDOCYCLOHEXYLAMINO)-PROPAN-1,2-DIOL DERIVATIVE, MANUFACTURE AND MEDICINE | CIBA GEIGY AG | 1984-02-20 | — | — | JP | disclosed |
| EP-0096006-A2 | 3-(Ureidocyclohexylamino)-propane-1,2-diol derivatives, process for their preparation, pharmaceutical preparations containing these compounds and their therapeutical use | CIBA-GEIGY AG (CH) | 1983-12-07 | — | — | EP | disclosed |