⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18889787 | 0.83 | AURKA (0.30) | — | |
| SCHEMBL17581113 | 0.77 | — | — | |
| SCHEMBL1053003 | 0.77 | — | — | |
| SCHEMBL20182048 | 0.77 | — | — | |
| SCHEMBL6275922 | 0.75 | NOS3 (0.34) | — | |
| SCHEMBL6275927 | 0.75 | NOS3 (0.34) | — | |
| SCHEMBL15674868 | 0.74 | — | — | |
| SCHEMBL15674923 | 0.74 | NOS3 (0.38) | — | |
| SCHEMBL14823685 | 0.73 | — | — | |
| SCHEMBL16590870 | 0.70 | MPO (0.35) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015042243-A1 | TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-03-26 | — | — | WO | disclosed |