⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13229786 | 0.73 | SOS1 (0.32) | — | |
| SCHEMBL14196260 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL4847290 | 0.70 | — | — | |
| SCHEMBL25306970 | 0.69 | — | — | |
| SCHEMBL12921212 | 0.69 | — | — | |
| SCHEMBL25843201 | 0.69 | — | — | |
| SCHEMBL25306973 | 0.69 | — | — | |
| SCHEMBL10157092 | 0.69 | — | — | |
| SCHEMBL13763266 | 0.69 | — | — | |
| SCHEMBL17776650 | 0.67 | IRAK1 (0.34) | — |
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-8586751-B2 | Nicotinamide compounds useful as kinase modulators | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-11-19 | — | — | US | disclosed |
| US-20120082702-A1 | NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS | BRISTOL-MEYERS SQUIBB COMPANY | 2012-04-05 | — | — | US | disclosed |