⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL27855042 | 0.85 | SMPD1 (0.30) | — | |
| SCHEMBL28117249 | 0.83 | SMPD1 (0.31) | — | |
| SCHEMBL3723452 | 0.72 | TSHR (0.35) | — | |
| SCHEMBL8845936 | 0.72 | TSHR (0.35) | — | |
| SCHEMBL4541771 | 0.72 | TSHR (0.35) | — | |
| SCHEMBL25335915 | 0.71 | CES2 (0.38) | — | |
| SCHEMBL28517614 | 0.71 | CES2 (0.38) | — | |
| SCHEMBL25414443 | 0.71 | CES2 (0.38) | — | |
| SCHEMBL8751535 | 0.70 | SMPD1 (0.31) | — | |
| SCHEMBL11347297 | 0.66 | FDPS (0.30) | — |
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-106166305-A | A kind of broad-spectrum antiseptic type wound care film and preparation method thereof | 北京市创伤骨科研究所 | 2016-11-30 | — | — | CN | disclosed |