⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9906474 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL9906475 | 0.74 | — | — | |
| SCHEMBL2034229 | 0.73 | FAP (0.33) | — | |
| SCHEMBL2034225 | 0.73 | FAP (0.33) | — | |
| SCHEMBL4760427 | 0.73 | FAP (0.33) | — | |
| SCHEMBL2687773 | 0.69 | — | — | |
| SCHEMBL17224647 | 0.64 | GAA (0.32) | — | |
| SCHEMBL23778578 | 0.64 | — | — | |
| Trifluoroacetic Acid SCHEMBL2052674 | 0.64 | F2 (0.30) | — | |
| Trifluoroacetic Acid SCHEMBL2052672 | 0.64 | F2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8198276-B2 | Kinase inhibitor compounds | XCOVERY HOLDING COMPANY LLC (US) | 2012-06-12 | — | — | US | disclosed |
| US-20100144768-A1 | KINASE INHIBITOR COMPOUNDS | COMPASS HORIZON FUNDING COMPANY LLC | 2010-06-10 | — | — | US | disclosed |