⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1396683 | 0.79 | ELANE (0.31) | — | |
| SCHEMBL4864717 | 0.76 | — | — | |
| SCHEMBL1396805 | 0.75 | — | — | |
| SCHEMBL4867752 | 0.68 | — | — | |
| SCHEMBL20011260 | 0.60 | — | — | |
| SCHEMBL14655482 | 0.59 | — | — | |
| SCHEMBL24281972 | 0.59 | PKM (0.35) | — | |
| Methyl Alcohol SCHEMBL16568700 | 0.58 | MEN1 (0.31) | — | |
| SCHEMBL460052 | 0.58 | TDP1 (0.38) | — | |
| SCHEMBL10853706 | 0.58 | LMNA (0.53) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2200701-B1 | DIMETHYLCYCLOHEXYL DERIVATIVES AS MALODOR NEUTRALIZERS | GIVAUDAN SA (CH) | 2011-03-02 | — | — | EP | claimed |
| US-20100209378-A1 | Dimethylcyclohexyl Derivatives as Malodor Neutralizers | GIVAUDAN SA (CH) | 2010-08-19 | — | — | US | claimed |
| EP-2200701-A1 | DIMETHYLCYCLOHEXYL DERIVATIVES AS MALODOR NEUTRALIZERS | Givaudan SA (CH) | 2010-06-30 | — | — | EP | claimed |
| WO-2009030059-A1 | DIMETHYLCYCLOHEXYL DERIVATIVES AS MALODOR NEUTRALIZERS | GIVAUDAN SA (CH) | 2009-03-12 | — | — | WO | claimed |
| EP-2200701-B1 | DIMETHYLCYCLOHEXYL DERIVATIVES AS MALODOR NEUTRALIZERS | GIVAUDAN SA (CH) | 2011-03-02 | — | — | EP | disclosed |
| US-20100209378-A1 | Dimethylcyclohexyl Derivatives as Malodor Neutralizers | GIVAUDAN SA (CH) | 2010-08-19 | — | — | US | disclosed |