⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7298646 | 0.76 | — | — | |
| SCHEMBL18449658 | 0.76 | CYP2C19 (0.31) | — | |
| SCHEMBL18449659 | 0.74 | CYP2C19 (0.33) | — | |
| SCHEMBL20159047 | 0.67 | CHRM2 (0.33) | — | |
| SCHEMBL20141506 | 0.67 | CHRM2 (0.33) | — | |
| SCHEMBL534090 | 0.67 | — | — | |
| SCHEMBL3084499 | 0.66 | CYP2C19 (0.39) | — | |
| SCHEMBL8548278 | 0.62 | — | — | |
| SCHEMBL845998 | 0.62 | — | — | |
| SCHEMBL14272008 | 0.59 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0807617-B1 | PROCESS FOR PREPARING 1,5-PENTANEDIOL DERIVATIVE | KYOWA YUKA KK (JP) | 2003-04-02 | — | — | EP | disclosed |
| US-6072089-A | REACTING 2-BUTENAL DERIVATIVE WITH FORMALDEHYDE, HYDROGENATING MIXTURE OF PRODUCTS WITHOUT SEPARATING | KYOWA YUKA CO., LTD. (JP) | 2000-06-06 | — | — | US | disclosed |
| EP-0807617-A1 | PROCESS FOR PREPARING 1,5-PENTANEDIOL DERIVATIVE | Kyowa Yuka Co., Ltd. (JP) | 1997-11-19 | — | — | EP | disclosed |