⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5482009 | 1.00 | — | — | |
| SCHEMBL12778560 | 1.00 | — | — | |
| SCHEMBL17037469 | 0.83 | TSHR (0.33) | — | |
| SCHEMBL17037470 | 0.83 | TSHR (0.33) | — | |
| SCHEMBL5147416 | 0.82 | — | — | |
| SCHEMBL1527654 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL7709586 | 0.78 | — | — | |
| SCHEMBL11406764 | 0.78 | — | — | |
| Acetonitrile SCHEMBL27696067 | 0.77 | — | — | |
| SCHEMBL17751175 | 0.76 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9586931-B2 | Triazolyl derivatives as Syk inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-03-07 | — | — | US | disclosed |
| US-20150239866-A1 | TRIAZOLYL DERIVATIVES AS SYK INHIBITORS | MERCK CANADA INC. (CA) | 2015-08-27 | — | — | US | disclosed |
| US-20110098471-A1 | OXAZOLIDINONE DERIVATIVE HAVING FUSED RING | RESEARCH FOUNDATION ITSUU LABORATORY (JP) | 2011-04-28 | — | — | US | disclosed |