⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16876451 | 0.81 | — | — | |
| SCHEMBL8396437 | 0.80 | CYP1A2 (0.60) | — | |
| SCHEMBL2518366 | 0.79 | MAOA (0.40) | — | |
| SCHEMBL2518363 | 0.79 | MAOA (0.40) | — | |
| SCHEMBL16885244 | 0.79 | PKM (0.36) | — | |
| SCHEMBL2842675 | 0.78 | — | — | |
| SCHEMBL2281276 | 0.78 | — | — | |
| SCHEMBL2366099 | 0.78 | — | — | |
| SCHEMBL3387416 | 0.71 | — | — | |
| SCHEMBL18541887 | 0.71 | — | — |
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-9242984-B2 | Pyrazolyl derivatives as Syk inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-01-26 | — | — | US | disclosed |
| US-20150191461-A1 | PYRAZOLYL DERIVATIVES AS SYK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-07-09 | — | — | US | disclosed |