⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14768459 | 1.00 | — | — | |
| SCHEMBL13744990 | 1.00 | — | — | |
| SCHEMBL27089783 | 0.93 | ADH1B (0.33) | — | |
| SCHEMBL18458215 | 0.89 | ADH1B (0.32) | — | |
| SCHEMBL13397343 | 0.89 | — | — | |
| SCHEMBL23178016 | 0.87 | ADH1C (0.35) | — | |
| SCHEMBL25691939 | 0.85 | TRPA1 (0.35) | — | |
| Methyl Alcohol SCHEMBL28023379 | 0.83 | CCR2 (0.31) | — | |
| SCHEMBL19608612 | 0.81 | SPHK1 (0.31) | — | |
| SCHEMBL10093885 | 0.80 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9682991-B2 | Tricyclic compounds for use as kinase inhibitors | FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) | 2017-06-20 | — | — | US | disclosed |
| US-20130065881-A1 | Tricyclic Compounds for Use as Kinase Inhibitors | CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (ES) | 2013-03-14 | — | — | US | disclosed |