⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8467573 | 0.95 | — | — | |
| Hexane SCHEMBL29140428 | 0.77 | TSHR (0.32) | — | |
| Heptane SCHEMBL28498778 | 0.75 | TSHR (0.36) | — | |
| SCHEMBL27603050 | 0.75 | TSHR (0.36) | — | |
| Butane SCHEMBL28466965 | 0.73 | — | — | |
| SCHEMBL677941 | 0.69 | — | — | |
| SCHEMBL9501078 | 0.69 | — | — | |
| SCHEMBL20751 | 0.69 | — | — | |
| Fluoride SCHEMBL29154662 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL6674057 | 0.68 | DNM1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008084747-A2 | SOLVENTLESS CURED RELEASE COATING-FORMING ORGANOPOLYSILOXANE COMPOSITION AND SHEET-FORM SUBSTRATE HAVING CURED RELEASE COATING | DOW CORNING TORAY CO., LTD. (JP) | 2008-07-17 | — | — | WO | disclosed |