⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4652948 | 1.00 | — | — | |
| SCHEMBL4652901 | 0.74 | — | — | |
| SCHEMBL4652898 | 0.74 | — | — | |
| SCHEMBL14040678 | 0.72 | TSHR (0.52) | — | |
| SCHEMBL4652894 | 0.71 | NPC1 (0.33) | — | |
| SCHEMBL4652896 | 0.70 | XDH (0.36) | — | |
| SCHEMBL4652949 | 0.69 | — | — | |
| SCHEMBL420552 | 0.68 | — | — | |
| SCHEMBL6379398 | 0.68 | KDM4E (0.33) | — | |
| SCHEMBL4652963 | 0.65 | LMNA (0.38) | — |
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-1352901-B1 | Process for the preparation of cyclic diketones | SYNGENTA PARTICIPATIONS AG (CH) | 2008-10-01 | — | — | EP | disclosed |
| US-7135574-B2 | Converting substituted mono or bicyclic lactones in presence of an amine base and a catalytic amount of a cyanide or alkali or alkaline metal alcoholate, to a salt, reacting the salt with carbonyl compound containing an organic substituent | SYNGENTA CROP PROTECTION, INC. (US) | 2006-11-14 | — | — | US | disclosed |
| US-20050159314-A1 | Process for the preparation of cyclic diketones | SCHNEIDER HERMANN (CH) | 2005-07-21 | — | — | US | disclosed |
| US-6855831-B2 | Process for the preparation of cyclic diketones | SYNGENTA CROP PROTECTION, INC. (US) | 2005-02-15 | — | — | US | disclosed |
| US-20030199708-A1 | Process for the preparation of cyclic diketones | SYNGENTA CROP PROTECTION, INC. | 2003-10-23 | — | — | US | disclosed |
| EP-1352901-A2 | Process for the preparation of cyclic diketones | Syngenta Participations AG (CH) | 2003-10-15 | — | — | EP | disclosed |