⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3200353 | 1.00 | — | — | |
| SCHEMBL9341283 | 1.00 | — | — | |
| SCHEMBL25537294 | 0.84 | — | — | |
| SCHEMBL20939955 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL21440357 | 0.81 | — | — | |
| SCHEMBL24030720 | 0.78 | — | — | |
| SCHEMBL3200709 | 0.78 | — | — | |
| SCHEMBL4433070 | 0.76 | — | — | |
| SCHEMBL1765140 | 0.75 | SLC22A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL1793669 | 0.73 | LMNA (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |