⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL290159 | 0.84 | — | — | |
| SCHEMBL36084 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL9721258 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL27912822 | 0.69 | TSHR (0.31) | — | |
| SCHEMBL1959581 | 0.68 | — | — | |
| SCHEMBL1555910 | 0.67 | — | — | |
| SCHEMBL16932875 | 0.66 | — | — | |
| SCHEMBL7545324 | 0.66 | — | — | |
| SCHEMBL1555905 | 0.65 | — | — | |
| SCHEMBL28985049 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6297305-B1 | POLYSILOXANE WITH AT LEAST 2 ALKOXY GROUPS, POLYSILOXANE WITH AT LEAST 2 VINYL GROUPS, POLYSILOXANE WITH AT LEAST 2 HYDROGEN GROUPS, CONDENSATION REACTION CATALYST, PLATINUM TYPE CATALYST, AND AIR-OXIDATION-CURABLE UNSATURATED COMPOUND. | DOW CORNING TORAY SILICONE COMPANY, LTD. (JP) | 2001-10-02 | — | — | US | disclosed |