⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5152307 | 0.84 | MEN1 (0.30) | — | |
| SCHEMBL10895685 | 0.77 | UGT2B7 (0.32) | — | |
| SCHEMBL11201500 | 0.75 | — | — | |
| SCHEMBL8528896 | 0.72 | UGT2B7 (0.32) | — | |
| SCHEMBL10893759 | 0.68 | PTPN1 (0.33) | — | |
| SCHEMBL5152981 | 0.68 | — | — | |
| SCHEMBL14620479 | 0.68 | — | — | |
| SCHEMBL14620297 | 0.68 | — | — | |
| SCHEMBL14620296 | 0.68 | — | — | |
| SCHEMBL11131901 | 0.67 | RAB9A (0.33) | — |
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-0081699-B1 | ALICYCLIC COMPOUNDS, THEIR USE AS PERFUME OR FLAVOURING AGENTS AND PROCESS FOR THEIR PREPARATION | FIRMENICH SA (CH) | 1985-01-23 | — | — | EP | claimed |
| EP-0081699-A1 | Alicyclic compounds, their use as perfume or flavouring agents and process for their preparation | FIRMENICH SA (CH) | 1983-06-22 | — | — | EP | claimed |
| US-4608445-A | ORGANOLEPTIC | FIRMENICH SA (CH) | 1986-08-26 | — | — | US | disclosed |
| EP-0081699-B1 | ALICYCLIC COMPOUNDS, THEIR USE AS PERFUME OR FLAVOURING AGENTS AND PROCESS FOR THEIR PREPARATION | FIRMENICH SA (CH) | 1985-01-23 | — | — | EP | disclosed |
| EP-0081699-A1 | Alicyclic compounds, their use as perfume or flavouring agents and process for their preparation | FIRMENICH SA (CH) | 1983-06-22 | — | — | EP | disclosed |