⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5178410 | 1.00 | — | — | |
| SCHEMBL22876893 | 0.76 | — | — | |
| SCHEMBL19370778 | 0.76 | TSHR (0.40) | — | |
| SCHEMBL84385 | 0.76 | TSHR (0.40) | — | |
| Bromide SCHEMBL21747699 | 0.75 | TSHR (0.39) | — | |
| SCHEMBL22045856 | 0.74 | KMT2A (0.47) | — | |
| SCHEMBL19711770 | 0.74 | KMT2A (0.47) | — | |
| SCHEMBL14275838 | 0.74 | CYP19A1 (0.39) | — | |
| SCHEMBL19711769 | 0.73 | KMT2A (0.40) | — | |
| SCHEMBL10247642 | 0.72 | — | — |
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 5 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-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 |
| US-20100144768-A1 | KINASE INHIBITOR COMPOUNDS | COMPASS HORIZON FUNDING COMPANY LLC | 2010-06-10 | — | — | US | disclosed |
| WO-2008153942-A1 | KINASE INHIBITOR COMPOUNDS | XCOVERY, INC. (US) | 2008-12-18 | — | — | WO | disclosed |