⚠ 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 | |
|---|---|---|---|---|
| Trimethylammonium SCHEMBL27469243 | 0.56 | — | — | |
| SCHEMBL14658132 | 0.53 | — | — | |
| Hexamethylbenzene SCHEMBL114857 | 0.43 | RXFP1 (0.33) | — | |
| SCHEMBL45685 | 0.43 | — | — | |
| SCHEMBL28034402 | 0.43 | — | — | |
| SCHEMBL2924932 | 0.40 | — | — | |
| Hexamethylbenzene SCHEMBL8521013 | 0.40 | — | — | |
| Hexamethylbenzene SCHEMBL3853890 | 0.40 | RXFP1 (0.31) | — | |
| Hexamethylbenzene SCHEMBL8980194 | 0.40 | RXFP1 (0.31) | — | |
| Hexamethylbenzene SCHEMBL9577265 | 0.40 | RXFP1 (0.31) | — |
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-20130030191-A1 | Group IV Metal Complexes For Metal-Containing Film Deposition | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2013-01-31 | — | — | US | claimed |
| US-20130030191-A1 | Group IV Metal Complexes For Metal-Containing Film Deposition | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2013-01-31 | — | — | US | disclosed |