⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL145524 | 0.97 | — | — | |
| Methane SCHEMBL27965354 | 0.94 | — | — | |
| SCHEMBL144837 | 0.81 | — | — | |
| SCHEMBL28919 | 0.79 | — | — | |
| Pyrimidine SCHEMBL27529476 | 0.79 | QPCT (0.37) | — | |
| Pyridine SCHEMBL28880004 | 0.79 | KMT2A (0.41) | — | |
| SCHEMBL15344088 | 0.78 | ALDH1A1 (0.48) | — | |
| SCHEMBL15999308 | 0.78 | — | — | |
| SCHEMBL7263400 | 0.77 | EPHX1 (0.54) | — | |
| SCHEMBL4611732 | 0.77 | EPHX1 (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106349519-A | Cable sheathing material of heat resistance flame retardant natural rubber | 安徽蓝德集团股份有限公司 | 2017-01-25 | — | — | CN | disclosed |