⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20981827 | 0.82 | — | — | |
| SCHEMBL4359239 | 0.71 | — | — | |
| SCHEMBL20981779 | 0.69 | — | — | |
| SCHEMBL26606348 | 0.67 | CYP2A6 (0.43) | — | |
| SCHEMBL17375094 | 0.66 | — | — | |
| SCHEMBL11372911 | 0.64 | — | — | |
| SCHEMBL9336430 | 0.63 | ALDH1A1 (0.47) | — | |
| SCHEMBL123127 | 0.63 | ALDH1A1 (0.47) | — | |
| SCHEMBL309527 | 0.61 | ALDH1A1 (0.45) | — | |
| Water SCHEMBL4753900 | 0.61 | ALDH1A1 (0.45) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0895984-B1 | ALICYCLIC POLYAMINES AND PROCESS FOR THE PREPARATION THEREOF | DAICEL CHEM (JP) | 2006-04-12 | — | — | EP | disclosed |
| US-6215031-B1 | REDUCING 3-FORMYLCYCLOALKANONE OR 3-FORMYLCYCLOALKENONE;3-HYDROXYMETHYL-5,5-DIMETHYLCYCLOHEXANOL | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2001-04-10 | — | — | US | disclosed |
| US-6100430-A | ALICYCLIC COMPOUND CONTAINING TWO PRIMARY, SECONDARY AND/OR TERTIARY AMINO GROUPS AND HAVING A CARBON ATOM IN THE RING SUBSTITUTED WITH TWO ALKYL GROUPS; MAKING BY REDUCTIVE AMINATION OF A 3-FORMYLCYCLOALKENONE OR 3-FORMYLCYCLOALKANONE | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2000-08-08 | — | — | US | disclosed |
| EP-0976723-A2 | A cycloaliphatic polyisocyanate compound, a process for the preparation thereof, a polyurethane therefrom, and an adhesive composition | Daicel Chemical Industries, Ltd. (JP) | 2000-02-02 | — | — | EP | disclosed |
| EP-0895984-A1 | ALICYCLIC POLYAMINES AND PROCESS FOR THE PREPARATION THEREOF | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1999-02-10 | — | — | EP | disclosed |
| EP-0895980-A1 | 3-HYDROXYMETHYLCYCLOALKANOLS AND PROCESS FOR PRODUCING THEM | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1999-02-10 | — | — | EP | disclosed |