⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18616509 | 0.82 | MPO (0.39) | — | |
| SCHEMBL18616572 | 0.81 | KMT2A (0.41) | — | |
| SCHEMBL18617402 | 0.81 | MPO (0.33) | — | |
| SCHEMBL18617663 | 0.81 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL18617301 | 0.78 | NPC1 (0.34) | — | |
| SCHEMBL18617434 | 0.74 | MPO (0.40) | — | |
| SCHEMBL18616504 | 0.68 | MPO (0.33) | — | |
| SCHEMBL4801307 | 0.68 | AOC3 (0.48) | — | |
| SCHEMBL24773983 | 0.65 | CYP3A4 (0.41) | — | |
| SCHEMBL18620550 | 0.63 | NOS2 (0.42) | — |
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-2017040449-A1 | TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-03-09 | — | — | WO | disclosed |