⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1929745 | 0.73 | — | — | |
| SCHEMBL20143498 | 0.72 | HRH3 (0.31) | — | |
| SCHEMBL13464010 | 0.71 | GBA1 (0.35) | — | |
| SCHEMBL12713421 | 0.70 | CHRM2 (0.30) | — | |
| SCHEMBL9868828 | 0.69 | SCN1A (0.44) | — | |
| SCHEMBL1928605 | 0.68 | ALDH1A1 (0.50) | — | |
| SCHEMBL23476621 | 0.64 | — | — | |
| SCHEMBL20143214 | 0.64 | SCN1A (0.51) | — | |
| SCHEMBL10798478 | 0.63 | ACHE (0.30) | — | |
| SCHEMBL11567253 | 0.62 | CARM1 (0.46) | — |
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-9969864-B2 | Light stabilizers | BASF SE (DE) | 2018-05-15 | — | — | US | disclosed |