⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL339598 | 1.00 | — | — | |
| SCHEMBL3232584 | 1.00 | — | — | |
| SCHEMBL38654566 | 1.00 | — | — | |
| SCHEMBL10384525 | 0.97 | HTR6 (0.52) | — | |
| SCHEMBL6194042 | 0.97 | HTR6 (0.52) | — | |
| SCHEMBL583879 | 0.97 | HTR6 (0.56) | — | |
| SCHEMBL127850 | 0.97 | HTR6 (0.56) | — | |
| SCHEMBL24782761 | 0.93 | HTR6 (0.54) | — | |
| SCHEMBL22216666 | 0.93 | HTR6 (0.54) | — | |
| SCHEMBL21057351 | 0.93 | HTR6 (0.54) | — |
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-3225614-B1 | KINETIC RESOLUTION OF ASYMMETRIC CATALYTIC HYDROGENATION OF RACEMIC -HYDROXY ESTER AND APPLICATION THEREOF | ZHEJIANG JIUZHOU PHARM CO LTD (CN) | 2020-10-28 | — | — | EP | disclosed |
| US-20170334831-A1 | Kinetic resolution of racemic hydroxy ester via asymmetric catalytic hydrogenation and application thereof | ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) | 2017-11-23 | — | — | US | disclosed |
| EP-3225614-A1 | KINETIC RESOLUTION OF ASYMMETRIC CATALYTIC HYDROGENATION OF RACEMIC -HYDROXY ESTER AND APPLICATION THEREOF | Zhejiang Jiuzhou Pharmaceutical Co., Ltd. (CN) | 2017-10-04 | — | — | EP | disclosed |
| WO-2010049678-A2 | TREATMENT OF ENERGY UTILIZATION DISEASES | SUMMIT CORPORATION PLC (GB) | 2010-05-06 | — | — | WO | disclosed |
| WO-2010029313-A1 | ANTIINFECTIVE COMPOUNDS | SUMMIT CORPORATION PLC. (GB) | 2010-03-18 | — | — | WO | disclosed |
| WO-2010015815-A2 | COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS | SUMMIT CORPORATION PLC (GB) | 2010-02-11 | — | — | WO | disclosed |