⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28879222 | 0.93 | ESR1 (0.33) | — | |
| SCHEMBL94078 | 0.85 | ESR1 (0.35) | — | |
| SCHEMBL27428962 | 0.84 | ESR1 (0.31) | — | |
| SCHEMBL6889166 | 0.83 | ESR1 (0.34) | — | |
| SCHEMBL12032189 | 0.81 | ESR1 (0.33) | — | |
| SCHEMBL9900064 | 0.81 | ESR1 (0.33) | — | |
| SCHEMBL17686327 | 0.81 | — | — | |
| SCHEMBL13038467 | 0.79 | ESR1 (0.32) | — | |
| SCHEMBL31344407 | 0.79 | ESR1 (0.32) | — | |
| SCHEMBL15544196 | 0.79 | ESR1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105837617-B | Can directly heat cure the ether containing trifluoro vinyl cyclosiloxane preparation and application | 中国科学院上海有机化学研究所 | 2019-03-15 | — | — | CN | disclosed |
| CN-105837617-A | Preparation and application of trifluorovinyl-ether-containing cyclosiloxane capable of direct heat curing | 中国科学院上海有机化学研究所 | 2016-08-10 | — | — | CN | disclosed |