⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1943136 | 0.81 | — | — | |
| SCHEMBL1905021 | 0.81 | — | — | |
| SCHEMBL900595 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL125218 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL20481635 | 0.81 | — | — | |
| SCHEMBL22406221 | 0.79 | — | — | |
| Acetic Acid SCHEMBL6600577 | 0.78 | — | — | |
| SCHEMBL4047529 | 0.78 | — | — | |
| Perchlorate SCHEMBL5454038 | 0.78 | — | — | |
| Trifluoroacetic Acid SCHEMBL6337508 | 0.75 | — | — |
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-0715615-B1 | METHOD FOR PREPARING (+)-(1R)-CIS-3-OXO-2-PENTYL-1-CYCLOPENTANEACETIC ACID | FIRMENICH & CIE (CH) | 1998-10-07 | — | — | EP | disclosed |
| EP-0715615-A1 | METHOD FOR PREPARING (+)-(1R)-CIS-3-OXO-2-PENTYL-1-CYCLOPENTANEACETIC ACID | FIRMENICH SA (CH) | 1996-06-12 | — | — | EP | disclosed |
| WO-1996000206-A1 | METHOD FOR PREPARING (+)-(1R)-CIS-3-OXO-2-PENTYL-1-CYCLOPENTANEACETIC ACID | FIRMENICH S.A. (CH) | 1996-01-04 | — | — | WO | disclosed |