⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27512693 | 0.60 | CA1 (0.57) | — | |
| Water SCHEMBL9336807 | 0.60 | — | — | |
| SCHEMBL27513398 | 0.60 | CA1 (0.57) | — | |
| SCHEMBL9547 | 0.60 | — | — | |
| SCHEMBL11560033 | 0.60 | — | — | |
| SCHEMBL9132137 | 0.59 | — | — | |
| SCHEMBL1553336 | 0.59 | — | — | |
| SCHEMBL4662898 | 0.59 | — | — | |
| SCHEMBL19603585 | 0.56 | — | — | |
| SCHEMBL10624159 | 0.54 | — | — |
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-20050090499-A1 | Certain imidazo[1,2-a]pyrazin-8-ylamines and method of inhibition of bruton's tyrosine kinase by such compounds | GILEAD CONNECTICUT, INC. | 2005-04-28 | — | — | US | claimed |
| US-20090318381-A1 | Halogenated alkyl di-and trisaccharides, pharmaceutical formulations, diagnostic kits and methods of treatment | COMMON PHARMA | 2009-12-24 | — | — | US | disclosed |