⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10005358 | 0.57 | — | — | |
| SCHEMBL11961042 | 0.55 | GSK3A (0.32) | — | |
| SCHEMBL11320669 | 0.50 | LPO (0.44) | — | |
| Hexamethylbenzene SCHEMBL114857 | 0.42 | RXFP1 (0.33) | — | |
| SCHEMBL31175398 | 0.42 | — | — | |
| SCHEMBL11730161 | 0.42 | — | — | |
| SCHEMBL9738500 | 0.42 | — | — | |
| Hexamethylbenzene SCHEMBL3853890 | 0.39 | RXFP1 (0.31) | — | |
| Hexamethylbenzene SCHEMBL9577265 | 0.39 | RXFP1 (0.31) | — | |
| SCHEMBL6695874 | 0.39 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2831177-B1 | LOW VISCOSITY POLYORGANOSILOXANES COMPRISING QUATERNARY AMMONIUM GROUPS, METHODS FOR THE PRODUCTION AND THE USE THEREOF (II) | MOMENTIVE PERFORMANCE MAT GMBH (DE) | 2018-05-09 | — | — | EP | disclosed |