⚠ 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 | |
|---|---|---|---|---|
| Taurine SCHEMBL688316 | 1.00 | — | — | |
| Taurine SCHEMBL28030417 | 0.97 | — | — | |
| Taurine SCHEMBL42632 | 0.97 | BLM (1.00) | — | |
| Taurine SCHEMBL23068 | 0.97 | — | — | |
| Taurine SCHEMBL30179154 | 0.97 | — | — | |
| Taurine SCHEMBL30191395 | 0.97 | — | — | |
| Taurine SCHEMBL2422017 | 0.93 | — | — | |
| Taurine SCHEMBL15194490 | 0.93 | — | — | |
| Taurine SCHEMBL1100954 | 0.93 | — | — | |
| Taurine SCHEMBL10626136 | 0.93 | — | — |
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-116806825-A | Antimicrobial mixture | 西姆莱斯股份公司 | 2023-09-29 | — | — | CN | disclosed |