⚠ 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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL11059150 | 0.71 | — | — | |
| Methyl Alcohol SCHEMBL11059144 | 0.71 | — | — | |
| SCHEMBL120668 | 0.71 | — | — | |
| SCHEMBL20660 | 0.71 | — | — | |
| SCHEMBL55475 | 0.71 | — | — | |
| SCHEMBL10421619 | 0.69 | — | — | |
| SCHEMBL10421618 | 0.69 | — | — | |
| SCHEMBL11426183 | 0.69 | — | — | |
| SCHEMBL4527305 | 0.69 | — | — | |
| SCHEMBL25333079 | 0.69 | TRPA1 (0.30) | — |
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-8299185-B2 | Curable cage-type silicone copolymer and process for production thereof and curable resin composition comprising curable cage-type silicone copolymer and cured product thereof | NIPPON STEEL CHEMICAL CO., LTD. (JP) | 2012-10-30 | — | — | US | disclosed |
| US-20100280190-A1 | CURABLE CAGE-TYPE SILICONE COPOLYMER AND PROCESS FOR PRODUCTION THEREOF AND CURABLE RESIN COMPOSITION COMPRISING CURABLE CAGE-TYPE SILICONE COPOLYMER AND CURED PRODUCT THEREOF | NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) | 2010-11-04 | — | — | US | disclosed |