⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16933771 | 0.92 | — | — | |
| Cyclohexane SCHEMBL17156204 | 0.89 | EPHX1 (0.41) | — | |
| Cyclohexane SCHEMBL6482192 | 0.89 | EPHX1 (0.41) | — | |
| Cyclohexane SCHEMBL2022364 | 0.89 | EPHX1 (0.41) | — | |
| SCHEMBL185455 | 0.89 | — | — | |
| Cyclohexane SCHEMBL2027488 | 0.89 | EPHX1 (0.41) | — | |
| Cyclohexane SCHEMBL3485509 | 0.89 | EPHX1 (0.41) | — | |
| Cyclohexane SCHEMBL6475300 | 0.89 | EPHX1 (0.41) | — | |
| SCHEMBL3915819 | 0.84 | — | — | |
| Methyl Alcohol SCHEMBL7364636 | 0.81 | SHBG (0.42) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105745253-A | Curable composition, curing product, and method for using curable composition | 琳得科株式会社 | 2016-07-06 | — | — | CN | disclosed |
| CN-105531324-A | Curable composition, cured product, and method for using curable composition | LINTEC CORP | 2016-04-27 | — | — | CN | disclosed |
| EP-2900655-A1 | TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2015-08-05 | — | — | EP | disclosed |
| US-20110015170-A1 | AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2011-01-20 | — | — | US | disclosed |