⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13799186 | 0.85 | MEN1 (0.30) | — | |
| SCHEMBL9946146 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL9946120 | 0.80 | HTR2A (0.37) | — | |
| SCHEMBL9946134 | 0.76 | ESR1 (0.46) | — | |
| SCHEMBL17863581 | 0.74 | MAPK1 (0.37) | — | |
| SCHEMBL3230774 | 0.72 | — | — | |
| SCHEMBL9946119 | 0.71 | ACHE (0.38) | — | |
| SCHEMBL22820750 | 0.71 | — | — | |
| SCHEMBL9946122 | 0.70 | KMT2A (0.44) | — | |
| SCHEMBL9946121 | 0.68 | MEN1 (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-20120149693-A1 | THERAPEUTIC COMPOUNDS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2012-06-14 | — | — | US | disclosed |