⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1579478 | 0.81 | — | — | |
| SCHEMBL11640902 | 0.76 | ALOX15 (0.46) | — | |
| SCHEMBL22941490 | 0.74 | ALOX15 (0.44) | — | |
| SCHEMBL21780318 | 0.74 | ALOX15 (0.44) | — | |
| SCHEMBL14598243 | 0.74 | ALOX15 (0.44) | — | |
| SCHEMBL11713228 | 0.74 | ALOX15 (0.44) | — | |
| SCHEMBL11709985 | 0.72 | ALOX15 (0.48) | — | |
| SCHEMBL3170812 | 0.71 | ALDH1A1 (0.48) | — | |
| SCHEMBL7371037 | 0.71 | ALDH1A1 (0.55) | — | |
| SCHEMBL1484777 | 0.71 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2125739-A1 | MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2009-12-02 | — | — | EP | disclosed |
| US-20080188528-A1 | Modulators of C3a receptor and methods of use thereof | ENCYSIVE PHARMACEUTICALS, INC. | 2008-08-07 | — | — | US | disclosed |
| WO-2008079371-A1 | MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2008-07-03 | — | — | WO | disclosed |