⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20183950 | 0.87 | TSHR (0.54) | — | |
| SCHEMBL8997902 | 0.82 | TSHR (0.56) | — | |
| SCHEMBL11700557 | 0.79 | TSHR (0.52) | — | |
| SCHEMBL11700563 | 0.79 | TSHR (0.52) | — | |
| SCHEMBL10766534 | 0.79 | — | — | |
| SCHEMBL5157984 | 0.77 | TSHR (0.56) | — | |
| SCHEMBL15347093 | 0.77 | TSHR (0.61) | — | |
| SCHEMBL19846628 | 0.77 | TSHR (0.54) | — | |
| SCHEMBL31267242 | 0.77 | TSHR (0.54) | — | |
| SCHEMBL29417881 | 0.77 | TSHR (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104884552-A | ONE -COMPONENT, CURABLE COATING COMPOSITION, PROCESSES FOR MAKING AND USING THEM, AND COATINGS AND ARTICLES PREPARED WITH THEM | BASF COATINGS GMBH | 2015-09-02 | — | — | CN | disclosed |