⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2999901 | 0.95 | SLC6A2 (0.31) | — | |
| SCHEMBL8852722 | 0.75 | LMNA (0.32) | — | |
| SCHEMBL2992011 | 0.75 | — | — | |
| SCHEMBL3883605 | 0.70 | SLC6A2 (0.31) | — | |
| SCHEMBL2895674 | 0.70 | SLC6A2 (0.31) | — | |
| SCHEMBL2998518 | 0.70 | CYP3A4 (0.32) | — | |
| SCHEMBL2989501 | 0.69 | SIGMAR1 (0.30) | — | |
| SCHEMBL15914877 | 0.68 | — | — | |
| SCHEMBL2989463 | 0.67 | — | — | |
| SCHEMBL8022606 | 0.67 | LIPA (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0362673-B1 | 1,1-DICYCLOHEXYL CYCLOALKANE DERIVATIVE, METHOD FOR THE PREPARATION THEREOF AND TRACTION-DRIVE FLUID CONTAINING THE SAME | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1993-07-28 | — | — | EP | disclosed |
| US-5107041-A | 1,1-DICYCLOHEXYL CYCLOALKANE DERIVATIVE, METHOD FOR THE PREPARATION THEREOF AND TRACTION-DRIVE FLUID CONTAINING THE SAME | IDEMITSU KOSAN CO., LTD. (JP) | 1992-04-21 | — | — | US | disclosed |
| EP-0362673-A1 | 1,1-dicyclohexyl cycloalkane derivative, method for the preparation thereof and traction-drive fluid containing the same | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1990-04-11 | — | — | EP | disclosed |