⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9946120 | 0.64 | HTR2A (0.37) | — | |
| SCHEMBL1023210 | 0.64 | ALDH1A1 (0.41) | — | |
| SCHEMBL29110451 | 0.63 | CYP1A2 (0.33) | — | |
| SCHEMBL17863581 | 0.62 | MAPK1 (0.37) | — | |
| SCHEMBL1248015 | 0.62 | NCEH1 (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL3863207 | 0.62 | ALDH1A1 (0.39) | — | |
| SCHEMBL9946124 | 0.61 | NPSR1 (0.41) | — | |
| SCHEMBL9946145 | 0.60 | — | — | |
| SCHEMBL9946119 | 0.60 | ACHE (0.38) | — | |
| SCHEMBL15257907 | 0.59 | HTR2A (0.33) | — |
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-20120149693-A1 | THERAPEUTIC COMPOUNDS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2012-06-14 | — | — | US | disclosed |