⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8709644 | 0.77 | — | — | |
| SCHEMBL19366310 | 0.69 | — | — | |
| SCHEMBL8715763 | 0.68 | — | — | |
| SCHEMBL9390225 | 0.68 | — | — | |
| SCHEMBL10270032 | 0.67 | — | — | |
| SCHEMBL30046 | 0.64 | — | — | |
| SCHEMBL841633 | 0.62 | ALDH1A1 (0.36) | — | |
| SCHEMBL9856228 | 0.62 | ALDH1A1 (0.36) | — | |
| SCHEMBL11215336 | 0.62 | — | — | |
| SCHEMBL9242257 | 0.61 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0534449-A2 | Process for the preparation of 3-aminomethyl-3,5,5-trialkylcyclohexylamine | Mitsubishi Chemical Corporation (JP) | 1993-03-31 | — | — | EP | claimed |
| JP-6041024-A | — | — | None | — | — | JP | disclosed |
| JP-H0641024-A | PRODUCTION OF 3-AMINOMETHYL-3,5,5-TRIALKYLCYCLOHEXYLAMINE | MITSUBISHI KASEI CORP | 1994-02-15 | — | — | JP | disclosed |
| US-5286906-A | HYDROGENATION OF 3-CYANO-3,5,5-TRIALKYLCYCLOHEXANONE USING RUTHENIUM-COBALT CATALYST IN THE PRESENCE OF AMMONIA; BY-PRODUCT INHIBITION | MITSUBISHI KASEI CORPORATION (JP) | 1994-02-15 | — | — | US | disclosed |
| EP-0534449-A2 | Process for the preparation of 3-aminomethyl-3,5,5-trialkylcyclohexylamine | Mitsubishi Chemical Corporation (JP) | 1993-03-31 | — | — | EP | disclosed |