⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27776463 | 0.82 | ALDH1A1 (0.36) | — | |
| SCHEMBL27762971 | 0.81 | ALDH1A1 (0.36) | — | |
| SCHEMBL27764963 | 0.79 | — | — | |
| SCHEMBL4564327 | 0.68 | VCAM1 (0.32) | — | |
| SCHEMBL27764999 | 0.67 | MAPT (0.35) | — | |
| SCHEMBL27621944 | 0.66 | POLB (0.38) | — | |
| SCHEMBL27742275 | 0.64 | LMNA (0.37) | — | |
| SCHEMBL29702010 | 0.59 | ALDH1A1 (0.56) | — | |
| SCHEMBL7514813 | 0.59 | ALDH1A1 (0.56) | — | |
| Formic Acid SCHEMBL28829433 | 0.59 | ALDH1A1 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101442909-B | Bicycloheteroaryl compounds as P2X7 modulators and uses thereof | RENOVIS INC | 2013-03-27 | — | — | CN | disclosed |
| CN-101686680-A | Bicyclic heteroaryl compounds as P2X7 modulators and uses thereof | RENOVIS INC | 2010-03-31 | — | — | CN | disclosed |