⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL618206 | 1.00 | — | — | |
| SCHEMBL7269568 | 1.00 | — | — | |
| SCHEMBL28009177 | 1.00 | GSR (0.46) | — | |
| SCHEMBL2624942 | 1.00 | — | — | |
| SCHEMBL7467647 | 1.00 | — | — | |
| SCHEMBL2429552 | 1.00 | — | — | |
| SCHEMBL7919630 | 1.00 | — | — | |
| SCHEMBL3149007 | 1.00 | — | — | |
| SCHEMBL2624944 | 1.00 | — | — | |
| SCHEMBL8969976 | 0.97 | GSR (0.48) | — |
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-0783039-B1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE 2-ALKOXYCYCLOHEXANOL DERIVATIVES | KANEKA CORP (JP) | 2002-01-02 | — | — | EP | disclosed |
| US-6320069-B1 | REACTING RACEMIC ALCOHOL WITH OPTICALLY ACTIVE AMINO ACID TO PRODUCE AMINO ACID ESTER, PERFORMING DIASTEREOMER RESOLUTION THEREON BY PROCESS SELECTED FROM CRYSTALLIZATION SEPARATION, COLUMN SEPARATION AND SIMULATED MOVING BED SEPARATION | TORAY INDUSTRIES, INC. (JP) | 2001-11-20 | — | — | US | disclosed |
| EP-0924180-A1 | PROCESSES FOR THE PREPARATION OF OPTICALLY ACTIVE KETONES | TORAY INDUSTRIES, INC. (JP) | 1999-06-23 | — | — | EP | disclosed |
| US-5750382-A | TREATING A TRANS-2-ALKOXYCYCLOHEXANOL WITH A HYDROLASE CAPABLE OF ESTERIFYING STEREOSPECIFICALLY THE R-ISOMER IN THE PRESENCE OF AN ACYL DONOR; NO HYDROLYSIS; SEPARATION FROM ESTER | KANEKA CORPORATION (JP) | 1998-05-12 | — | — | US | disclosed |
| EP-0783039-A1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE 2-ALKOXYCYCLOHEXANOL DERIVATIVES | KANEKA CORPORATION (JP) | 1997-07-09 | — | — | EP | disclosed |