⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5992965 | 0.70 | — | — | |
| SCHEMBL26719876 | 0.69 | — | — | |
| SCHEMBL26719874 | 0.69 | — | — | |
| SCHEMBL26719873 | 0.69 | — | — | |
| SCHEMBL13674736 | 0.67 | — | — | |
| SCHEMBL47723 | 0.65 | — | — | |
| SCHEMBL21884 | 0.65 | — | — | |
| SCHEMBL21494503 | 0.63 | — | — | |
| SCHEMBL10785172 | 0.62 | MAPT (0.35) | — | |
| SCHEMBL5318797 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0659733-B1 | Process for influencing the cis-/trans-relation of 3-aminomethyl-3,5,5-trimethylcyclohexylamine in its preparation from 3-cyano-3,5,5-trimethylcyclohexanone | DEGUSSA (DE) | 1997-08-13 | — | — | EP | disclosed |
| EP-0659733-A1 | Process for influencing the cis-/trans-relation of 3-aminomethyl-3,5,5-trimethylcyclohexylamine in its preparation from 3-cyano-3,5,5-trimethylcyclohexanone | Degussa Aktiengesellschaft (DE) | 1995-06-28 | — | — | EP | disclosed |