⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31443060 | 0.71 | CYP3A4 (0.30) | — | |
| SCHEMBL15316770 | 0.65 | USP2 (0.39) | — | |
| SCHEMBL16558598 | 0.65 | USP2 (0.39) | — | |
| SCHEMBL1782826 | 0.65 | USP2 (0.39) | — | |
| SCHEMBL14850636 | 0.65 | — | — | |
| SCHEMBL11371412 | 0.65 | — | — | |
| SCHEMBL19120956 | 0.65 | — | — | |
| SCHEMBL3355356 | 0.64 | — | — | |
| SCHEMBL8804722 | 0.63 | HPGD (0.31) | — | |
| SCHEMBL8805864 | 0.63 | HPGD (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180171262-A1 | NOVEL AROMA CHEMICALS HAVING A 1,2,2-TRIMETHYLCYCLOPENTAN-1-YL MOIETY | BASF CHEMICALS INDIA PVT. LTD. (IN) | 2018-06-21 | — | — | US | disclosed |
| EP-3303275-A1 | NOVEL AROMA CHEMICALS HAVING A 1,2,2-TRIMETHYLCYCLOPENTAN-1-YL MOIETY | BASF SE (DE) | 2018-04-11 | — | — | EP | disclosed |
| WO-2016193133-A1 | NOVEL AROMA CHEMICALS HAVING A 1,2,2-TRIMETHYLCYCLOPENTAN-1-YL MOIETY | BASF SE (DE) | 2016-12-08 | — | — | WO | disclosed |
| US-5164364-A | Blending, fruit and flower flavors/odors | GIVAUDAN CORPORATION (US) | 1992-11-17 | — | — | US | disclosed |
| US-5057158-A | Ethyl campholenates and dihydro derivatives thereof as flavorants and odorants | GIVAUDAN CORPORATION (US) | 1991-10-15 | — | — | US | disclosed |