⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1140855 | 0.83 | — | — | |
| SCHEMBL1140913 | 0.83 | ALDH1A1 (0.31) | — | |
| SCHEMBL306721 | 0.82 | TSHR (0.31) | — | |
| SCHEMBL11651593 | 0.81 | CYP2C19 (0.33) | — | |
| SCHEMBL10521581 | 0.77 | DRD2 (0.31) | — | |
| SCHEMBL102874 | 0.74 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL31372417 | 0.71 | — | — | |
| SCHEMBL17714536 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL5612240 | 0.71 | CYP2C19 (0.32) | — | |
| SCHEMBL5612235 | 0.71 | CYP2C19 (0.32) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2124562-B1 | BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF | SECOND GENOME INC (US) | 2016-04-20 | — | — | EP | disclosed |
| EP-2124562-B1 | BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF | SECOND GENOME INC (US) | 2016-04-20 | — | — | EP | disclosed |
| US-8093265-B2 | Bicycloheteroaryl compounds as P2X7 modulators and uses thereof | RENOVIS, INC. (US) | 2012-01-10 | — | — | US | disclosed |
| US-8093265-B2 | Bicycloheteroaryl compounds as P2X7 modulators and uses thereof | RENOVIS, INC. (US) | 2012-01-10 | — | — | US | disclosed |
| US-8093265-B2 | Bicycloheteroaryl compounds as P2X7 modulators and uses thereof | RENOVIS, INC. (US) | 2012-01-10 | — | — | US | disclosed |
| EP-2124562-A1 | BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF | Renovis, Inc. (US) | 2009-12-02 | — | — | EP | disclosed |
| US-20080287415-A1 | Bicycloheteroaryl compounds as P2X7 modulators and uses thereof | SECOND GENOME, INC. | 2008-11-20 | — | — | US | disclosed |
| US-20080287415-A1 | Bicycloheteroaryl compounds as P2X7 modulators and uses thereof | SECOND GENOME, INC. | 2008-11-20 | — | — | US | disclosed |
| US-20080287415-A1 | Bicycloheteroaryl compounds as P2X7 modulators and uses thereof | SECOND GENOME, INC. | 2008-11-20 | — | — | US | disclosed |
| WO-2008112205-A1 | BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF | RENOVIS, INC. (US) | 2008-09-18 | — | — | WO | disclosed |
| WO-2008112205-A1 | BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF | RENOVIS, INC. (US) | 2008-09-18 | — | — | WO | disclosed |