⚠ 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 SCHEMBL29931159 | 0.94 | — | — | |
| Taurine SCHEMBL30179154 | 0.94 | — | — | |
| Taurine SCHEMBL42632 | 0.94 | BLM (1.00) | — | |
| Taurine SCHEMBL30191395 | 0.94 | — | — | |
| Taurine SCHEMBL23068 | 0.94 | — | — | |
| Taurine SCHEMBL11026626 | 0.91 | LMNA (0.82) | — | |
| Taurine SCHEMBL27277439 | 0.91 | — | — | |
| Taurine SCHEMBL10952596 | 0.90 | — | — | |
| Taurine SCHEMBL3667691 | 0.90 | — | — | |
| Taurine SCHEMBL923628 | 0.90 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106770729-A | A kind of method for detecting free state and combining state micro cyanide | 江南大学 | 2017-05-31 | — | — | CN | claimed |
| CN-114605976-A | Polysulfonic acid silane composite graphene oxide plugging agent and oil-based drilling fluid | 西南石油大学 | 2022-06-10 | — | — | CN | disclosed |