⚠ 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 | |
|---|---|---|---|---|
| Cyclohexene SCHEMBL1999560 | 0.93 | LMNA (0.43) | — | |
| Cyclopentene SCHEMBL1523429 | 0.90 | — | — | |
| Cyclohexene SCHEMBL3138151 | 0.83 | FFAR3 (0.47) | — | |
| Cyclohexene SCHEMBL23409884 | 0.83 | FFAR3 (0.47) | — | |
| Cyclopentene SCHEMBL7623672 | 0.82 | ALDH1A1 (0.33) | — | |
| Cyclopentene SCHEMBL28208216 | 0.82 | ALDH1A1 (0.56) | — | |
| Cyclopentene SCHEMBL4818209 | 0.81 | — | — | |
| Cyclopentene SCHEMBL5730638 | 0.81 | — | — | |
| Acetic Acid SCHEMBL4983986 | 0.80 | FFAR3 (0.44) | — | |
| Acetic Acid SCHEMBL29062607 | 0.80 | FFAR3 (0.44) | — |
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-0470426-B1 | 2,2,3-Trimethylcyclopentenyl acetone derivatives, organoleptic uses thereof and process for preparing same | INT FLAVORS & FRAGRANCES INC (US) | 1995-02-01 | — | — | EP | disclosed |
| EP-0470426-A2 | 2,2,3-Trimethylcyclopentenyl acetone derivatives, organoleptic uses thereof and process for preparing same | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1992-02-12 | — | — | EP | disclosed |
| US-5039659-A | 2,2,3-trimethylcyclopentenyl acetone derivatives, organoleptic uses thereof and process for preparing same | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1991-08-13 | — | — | US | disclosed |