⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10859427 | 0.69 | — | — | |
| SCHEMBL23413280 | 0.69 | — | — | |
| SCHEMBL9845491 | 0.62 | — | — | |
| SCHEMBL27909439 | 0.60 | — | — | |
| SCHEMBL16372496 | 0.56 | — | — | |
| SCHEMBL966346 | 0.50 | — | — | |
| SCHEMBL8008548 | 0.50 | — | — | |
| Methylisothiocyanate SCHEMBL3152 | 0.50 | — | — | |
| Methylisothiocyanate SCHEMBL27880816 | 0.50 | — | — | |
| Methylisothiocyanate SCHEMBL29112077 | 0.47 | — | — |
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-9976028-B2 | Curable coating compositions of silane functional polymers | KING INDUSTRIES (US) | 2018-05-22 | — | — | US | disclosed |
| US-20160244606-A1 | CURABLE COATING COMPOSITIONS OF SILANE FUNCTIONAL POLYMERS | KING INDUSTRIES | 2016-08-25 | — | — | US | disclosed |