⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20920916 | 0.78 | — | — | |
| SCHEMBL24373962 | 0.78 | — | — | |
| SCHEMBL23270 | 0.69 | — | — | |
| SCHEMBL7741585 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL258280 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL93481 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL7738662 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL14191923 | 0.65 | — | — | |
| SCHEMBL12556458 | 0.64 | — | — | |
| SCHEMBL14602481 | 0.64 | KDM4E (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090299111-A1 | (ALKYLPHENYL) ALKYLCYCLOHEXANE AND METHOD FOR PRODUCING (ALKYLPHENYL) ALKYLCYCLOHEXANE OR ALKYLBIPHENYL | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2009-12-03 | — | — | US | disclosed |
| EP-1908743-A1 | (ALKYLPHENYL)ALKYLCYCLOHEXANE AND METHOD FOR PRODUCING (ALKYLPHENYL)ALKYLCYCLOHEXANE OR ALKYLBIPHENYL | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2008-04-09 | — | — | EP | disclosed |