⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6674057 | 0.69 | DNM1 (0.40) | — | |
| Hexane SCHEMBL29140428 | 0.66 | TSHR (0.32) | — | |
| SCHEMBL4432856 | 0.66 | — | — | |
| SCHEMBL5992339 | 0.65 | — | — | |
| SCHEMBL27603050 | 0.65 | TSHR (0.36) | — | |
| Heptane SCHEMBL28498778 | 0.65 | TSHR (0.36) | — | |
| SCHEMBL2703050 | 0.64 | — | — | |
| SCHEMBL83294 | 0.63 | — | — | |
| SCHEMBL15234440 | 0.63 | — | — | |
| SCHEMBL4101160 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111808290-A | Phenyl-containing functional polysiloxanes and polycarbonate-polysiloxane copolymers prepared therefrom | 迈图高新材料日本合同公司 | 2020-10-23 | — | — | CN | disclosed |