⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9411295 | 0.77 | — | — | |
| SCHEMBL4099364 | 0.75 | — | — | |
| SCHEMBL241029 | 0.75 | — | — | |
| SCHEMBL27914112 | 0.74 | — | — | |
| Fluoride SCHEMBL28070874 | 0.73 | HDAC8 (0.33) | — | |
| SCHEMBL18762857 | 0.73 | — | — | |
| Phosphine SCHEMBL29001674 | 0.73 | HDAC8 (0.33) | — | |
| SCHEMBL27875523 | 0.72 | KDM4E (0.37) | — | |
| SCHEMBL507147 | 0.71 | NOS3 (0.45) | — | |
| SCHEMBL24724749 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104788385-A | Method for preparing 2- substituted pyrimidine derivative | Hunan huateng pharmaceutical co ltd | 2015-07-22 | — | — | CN | disclosed |
| WO-2009024214-A1 | PROCESS FOR THE PRODUCTION OF VORICONAZOLE | AXELLIA PHARMACEUTICALS APS (DK) | 2009-02-26 | — | — | WO | disclosed |
| CN-101312939-A | Heterocyclic cetp inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2008-11-26 | — | — | CN | disclosed |