⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL55392 | 0.85 | TSHR (0.35) | — | |
| Water SCHEMBL27512322 | 0.83 | TSHR (0.33) | — | |
| SCHEMBL2324697 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL28431195 | 0.78 | TSHR (0.39) | — | |
| Methoxymethane SCHEMBL28960870 | 0.77 | TSHR (0.38) | — | |
| SCHEMBL2327818 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL2346262 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL2325283 | 0.75 | TSHR (0.44) | — | |
| SCHEMBL28423587 | 0.75 | TSHR (0.44) | — | |
| SCHEMBL29198463 | 0.75 | TSHR (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113728056-B | Latent heat storage material | 株式会社钟化 | 2023-03-24 | — | — | CN | disclosed |
| CN-110041484-B | Highly branched polycarbonate polyol compositions | ＵＢＥ株式会社 | 2022-12-06 | — | — | CN | disclosed |
| CN-114651093-A | Fiber, fiber laminated structure, spinning solution for electrostatic spinning, and method for producing fiber | 信越化学工业株式会社 | 2022-06-21 | — | — | CN | disclosed |
| CN-111886314-B | Hot melt adhesive compositions containing polyolefin-polydiorganosiloxane block copolymers and methods of making and using the same | 美国陶氏有机硅公司 | 2022-06-17 | — | — | CN | disclosed |
| CN-113508161-A | Polymer blend, composition, sealant, and sealant for tire | 株式会社钟化 | 2021-10-15 | — | — | CN | disclosed |
| CN-107407011-B | Organosilicon-modified polyurethane fiber and process for producing the same | 信越化学工业株式会社 | 2021-10-08 | — | — | CN | disclosed |