⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL458082 | 0.79 | — | — | |
| SCHEMBL4305079 | 0.79 | — | — | |
| SCHEMBL30682922 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL15671021 | 0.77 | — | — | |
| SCHEMBL10706815 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL94699 | 0.75 | ALDH1A1 (0.30) | — | |
| SCHEMBL7057621 | 0.75 | TSHR (0.41) | — | |
| SCHEMBL20815544 | 0.72 | CYP1A2 (0.30) | — | |
| SCHEMBL29113722 | 0.71 | — | — | |
| SCHEMBL1459529 | 0.71 | ALDH1A1 (0.36) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112867764-B | Addition-curable silicone composition and method for producing same | 信越化学工业株式会社 | 2022-12-27 | — | — | CN | disclosed |
| US-20210388207-A1 | ADDITION CURING SILICONE COMPOSITION AND METHOD FOR MANUFACTURING SAME | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2021-12-16 | — | — | US | disclosed |
| EP-3865542-A1 | ADDITION CURING SILICONE COMPOSITION AND METHOD FOR MANUFACTURING SAME | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2021-08-18 | — | — | EP | disclosed |
| CN-112867764-A | Addition-curable silicone composition and method for producing same | 信越化学工业株式会社 | 2021-05-28 | — | — | CN | disclosed |