⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19053585 | 0.65 | MLYCD (0.30) | — | |
| SCHEMBL6982153 | 0.60 | HTT (0.32) | — | |
| SCHEMBL11223634 | 0.60 | — | — | |
| SCHEMBL8843529 | 0.60 | — | — | |
| SCHEMBL24180690 | 0.59 | COMT (0.30) | — | |
| SCHEMBL17054324 | 0.59 | ALDH1A1 (0.31) | — | |
| SCHEMBL26066910 | 0.57 | HSP90AA1 (0.32) | — | |
| SCHEMBL21737460 | 0.57 | HTT (0.30) | — | |
| SCHEMBL9674643 | 0.57 | HTT (0.32) | — | |
| SCHEMBL6294438 | 0.57 | MLYCD (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2139333-A1 | SUBSTITUTED PYRIDO[3,2-E][1,2,4]TRIAZOLO[4,3-C]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2010-01-06 | — | — | EP | disclosed |
| WO-2008118414-A1 | SUBSTITUTED PYRIDO[3,2-E][1,2,4]TRIAZOLO[4,3-C]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2008-10-02 | — | — | WO | disclosed |