⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL121928 | 0.78 | TSHR (0.47) | — | |
| SCHEMBL1573318 | 0.77 | — | — | |
| SCHEMBL3800187 | 0.75 | TP53 (0.48) | — | |
| SCHEMBL10988680 | 0.75 | TSHR (0.38) | — | |
| SCHEMBL946876 | 0.73 | — | — | |
| SCHEMBL3046597 | 0.73 | PPARD (0.37) | — | |
| SCHEMBL10365175 | 0.73 | — | — | |
| SCHEMBL29128676 | 0.73 | TSHR (0.43) | — | |
| SCHEMBL13743960 | 0.71 | — | — | |
| SCHEMBL20590445 | 0.71 | TSHR (0.63) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109790370-A | Polyphenylene ether resin composition | 旭化成株式会社 | 2019-05-21 | — | — | CN | disclosed |
| CN-108350267-A | Polyphony Ether fire retardant resin composition | 旭化成株式会社 | 2018-07-31 | — | — | CN | disclosed |
| CN-107892807-A | Fire retardant resin composition | 旭化成株式会社 | 2018-04-10 | — | — | CN | disclosed |