⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28172851 | 0.80 | — | — | |
| SCHEMBL3900947 | 0.65 | TSHR (0.30) | — | |
| Propane SCHEMBL1683354 | 0.62 | TSHR (0.36) | — | |
| SCHEMBL8967328 | 0.61 | TSHR (0.43) | — | |
| SCHEMBL9750810 | 0.61 | TSHR (0.50) | — | |
| SCHEMBL12892669 | 0.61 | TSHR (0.38) | — | |
| SCHEMBL15135164 | 0.60 | ALDH1A1 (0.33) | — | |
| Butane SCHEMBL3799640 | 0.60 | TSHR (0.33) | — | |
| SCHEMBL3886300 | 0.60 | ALDH1A1 (0.33) | — | |
| SCHEMBL1105076 | 0.58 | — | — |
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-107108834-B | The composition of amine through powder body cladding and the amine containing this through powder body cladding | 盛势达技研株式会社 | 2019-09-24 | — | — | CN | disclosed |
| CN-108138501-A | Anti-skid structure and anti-skidding composition for treating | 盛势达技研株式会社 | 2018-06-08 | — | — | CN | disclosed |