⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18285211 | 0.79 | TSHR (0.41) | — | |
| SCHEMBL18285260 | 0.73 | CHRM1 (0.30) | — | |
| SCHEMBL180483 | 0.72 | CDC25A (0.31) | — | |
| SCHEMBL5571611 | 0.72 | TSHR (0.37) | — | |
| SCHEMBL18285019 | 0.70 | — | — | |
| SCHEMBL18285017 | 0.69 | HIF1A (0.35) | — | |
| SCHEMBL28886360 | 0.69 | — | — | |
| SCHEMBL18285238 | 0.68 | HSD11B1 (0.33) | — | |
| SCHEMBL18285209 | 0.68 | — | — | |
| SCHEMBL18285122 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3303275-A1 | NOVEL AROMA CHEMICALS HAVING A 1,2,2-TRIMETHYLCYCLOPENTAN-1-YL MOIETY | BASF SE (DE) | 2018-04-11 | — | — | EP | claimed |
| WO-2016193133-A1 | NOVEL AROMA CHEMICALS HAVING A 1,2,2-TRIMETHYLCYCLOPENTAN-1-YL MOIETY | BASF SE (DE) | 2016-12-08 | — | — | WO | claimed |
| 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 |