⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6890150 | 0.95 | ALDH1A1 (1.00) | — | |
| SCHEMBL3071895 | 0.95 | ALDH1A1 (1.00) | — | |
| Piperidine SCHEMBL11283826 | 0.95 | — | — | |
| SCHEMBL3069642 | 0.95 | ALDH1A1 (1.00) | — | |
| Azepane SCHEMBL11361504 | 0.95 | — | — | |
| SCHEMBL8253733 | 0.95 | ALDH1A1 (1.00) | — | |
| Piperidine SCHEMBL8435190 | 0.95 | ALDH1A1 (1.00) | — | |
| SCHEMBL21753221 | 0.95 | ALDH1A1 (1.00) | — | |
| Piperidine SCHEMBL21819962 | 0.95 | ALDH1A1 (1.00) | — | |
| SCHEMBL11508384 | 0.95 | ALDH1A1 (1.00) | — |
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-1601635-A1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL IN THE PRESENCE OF RHODIUM, A CHIRAL FERROCENYLDIPHOSPHINE AND AN OPTICALLY ACTIVE DIAMINE | Kawaken Fine Chemicals Co., Ltd. (JP) | 2005-12-07 | — | — | EP | disclosed |
| WO-2004078686-A1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL IN THE PRESENCE OF RHODIUM, A CHIRAL FERROCENYLDIPHOSPHINE AND AN OPTICALLY ACTIVE DIAMINE | KAWAKEN FINE CHEMICALS CO., LTD. (JP) | 2004-09-16 | — | — | WO | disclosed |