⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11177863 | 0.69 | INMT (0.46) | — | |
| Hydrochloric Acid SCHEMBL156132 | 0.69 | INMT (0.46) | — | |
| SCHEMBL17863 | 0.67 | — | — | |
| Calcium SCHEMBL5072615 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL11188774 | 0.64 | CA12 (0.39) | — | |
| SCHEMBL5893051 | 0.62 | CA12 (0.42) | — | |
| Calcium Chloride SCHEMBL21625034 | 0.62 | INMT (0.45) | — | |
| SCHEMBL22006173 | 0.62 | — | — | |
| Formaldehyde SCHEMBL27262524 | 0.43 | CA1 (0.50) | — | |
| Formaldehyde SCHEMBL27657862 | 0.43 | CA1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3439473-A2 | SYNERGETIC BIOCIDAL COMPOSITIONS CONTAINING 5-CHLORO-2-METHYL-ISOTHIAZOLIN-3-ONE | THOR GmbH (DE) | 2019-02-13 | — | — | EP | disclosed |