⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29227998 | 0.87 | KCNH2 (0.37) | — | |
| SCHEMBL8018437 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL23714748 | 0.79 | TAAR1 (0.39) | — | |
| SCHEMBL29053735 | 0.79 | TAAR1 (0.39) | — | |
| SCHEMBL27911959 | 0.79 | EPHX1 (0.34) | — | |
| SCHEMBL27537625 | 0.76 | TSHR (0.34) | — | |
| SCHEMBL23169784 | 0.72 | SIGMAR1 (0.44) | — | |
| SCHEMBL13028068 | 0.71 | FAAH (0.34) | — | |
| SCHEMBL29370245 | 0.70 | EPHX1 (0.39) | — | |
| SCHEMBL24299811 | 0.69 | KCNH2 (0.39) | — |
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-101646718-B | Curable resin composition, protective film, and method for forming protective film | JSR CORP JP | 2013-04-03 | — | — | CN | disclosed |