⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10596722 | 0.83 | TSHR (0.31) | — | |
| SCHEMBL2774384 | 0.76 | — | — | |
| SCHEMBL9847990 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL4814879 | 0.73 | TSHR (0.48) | — | |
| SCHEMBL224380 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL9847927 | 0.71 | CYP2D6 (0.37) | — | |
| SCHEMBL8763234 | 0.69 | — | — | |
| SCHEMBL93666 | 0.69 | TSHR (0.48) | — | |
| SCHEMBL29092736 | 0.68 | ALDH1A1 (0.42) | — | |
| SCHEMBL3382918 | 0.68 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5438098-A | Blend of polyarylene sulfie;, polycarbonater and/or acrylonitrile-butadiene-styrene resin, and epoxy group containing defin graft polymer as compatibilizer | NIPPON PETROCHEMICALS CO., LTD. (JP) | 1995-08-01 | — | — | US | disclosed |