⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9064747 | 0.73 | — | — | |
| SCHEMBL286847 | 0.73 | — | — | |
| SCHEMBL4337964 | 0.72 | SLC6A4 (0.33) | — | |
| SCHEMBL13515554 | 0.72 | — | — | |
| SCHEMBL8817801 | 0.72 | — | — | |
| SCHEMBL10089210 | 0.72 | SLC6A4 (0.33) | — | |
| Hydrochloric Acid SCHEMBL3788037 | 0.70 | — | — | |
| SCHEMBL128025 | 0.69 | — | — | |
| SCHEMBL17315863 | 0.69 | PKM (0.34) | — | |
| SCHEMBL11309282 | 0.69 | — | — |
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-20080039478-A1 | Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof | RENOVIS, INC. | 2008-02-14 | — | — | US | disclosed |
| US-7297700-B2 | Bicycloheteroaryl compounds as P2X7 modulators and uses thereof | RENOVIS, INC. (US) | 2007-11-20 | — | — | US | disclosed |
| US-20060217448-A1 | e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction | RENOVIS, INC. | 2006-09-28 | — | — | US | disclosed |