⚠ 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 | |
|---|---|---|---|---|
| Hexamethylbenzene SCHEMBL38513 | 1.00 | — | — | |
| Hexamethylbenzene SCHEMBL6945522 | 1.00 | — | — | |
| Hexamethylbenzene SCHEMBL29610089 | 0.96 | — | — | |
| Hexamethylbenzene SCHEMBL443295 | 0.96 | — | — | |
| Hexamethylbenzene SCHEMBL7511606 | 0.89 | — | — | |
| SCHEMBL1854137 | 0.80 | PGK1 (0.30) | — | |
| Hexamethylbenzene SCHEMBL9989486 | 0.80 | — | — | |
| SCHEMBL28483989 | 0.78 | LMNA (0.32) | — | |
| Ethane SCHEMBL5283872 | 0.75 | — | — | |
| Ethane SCHEMBL333142 | 0.75 | TSHR (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105492489-A | Liquid molding compositions | MATERIA INC | 2016-04-13 | — | — | CN | disclosed |
| CN-105452325-A | Thermal insulation | MATERIA INC | 2016-03-30 | — | — | CN | disclosed |