⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7594286 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL11405118 | 0.73 | GABRA1 (0.46) | — | |
| SCHEMBL8824751 | 0.71 | — | — | |
| SCHEMBL387118 | 0.71 | GABRA1 (0.48) | — | |
| SCHEMBL315614 | 0.71 | GABRA1 (0.50) | — | |
| SCHEMBL15388937 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL9511172 | 0.69 | FAAH (0.31) | — | |
| SCHEMBL2049372 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL11789192 | 0.68 | LMNA (0.44) | — | |
| SCHEMBL11596777 | 0.68 | TRPA1 (0.30) | — |
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-5494964-A | Polyesters based on hydroxyl-containing prepolymers of olefinically unsaturated monomers and their use as binders for electrophotographic toners | BASF AKTIENGESELLSCHAFT (DE) | 1996-02-27 | — | — | US | claimed |