⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26951690 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL2283665 | 0.76 | CYP3A4 (0.38) | — | |
| SCHEMBL19867834 | 0.71 | — | — | |
| SCHEMBL2283129 | 0.71 | TACR1 (0.35) | — | |
| SCHEMBL32681650 | 0.70 | DGAT1 (0.32) | — | |
| SCHEMBL4937665 | 0.68 | ALDH1A1 (0.30) | — | |
| SCHEMBL18262663 | 0.65 | APLNR (0.30) | — | |
| SCHEMBL28562649 | 0.65 | APLNR (0.30) | — | |
| SCHEMBL15511214 | 0.64 | MAPK1 (0.45) | — | |
| SCHEMBL9285181 | 0.64 | GRM4 (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 |
|---|---|---|---|---|---|---|---|
| US-7989394-B2 | Substituted 1-(azolin-2-yl)-amino-2-aryl-1-hetaryl-ethane compounds | BASF SE (DE) | 2011-08-02 | — | — | US | disclosed |