⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14753869 | 1.00 | — | — | |
| SCHEMBL15689439 | 0.85 | CYP2D6 (0.38) | — | |
| SCHEMBL15689438 | 0.85 | CYP2D6 (0.38) | — | |
| SCHEMBL14753951 | 0.82 | CYP2D6 (0.48) | — | |
| SCHEMBL14753958 | 0.81 | — | — | |
| SCHEMBL4208579 | 0.81 | — | — | |
| SCHEMBL7967339 | 0.80 | CYP2D6 (0.39) | — | |
| SCHEMBL5309378 | 0.79 | — | — | |
| SCHEMBL15528593 | 0.79 | — | — | |
| SCHEMBL16280803 | 0.79 | — | — |
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-106455570-B | Stabilization of isothiazolones in aqueous compositions | 营养与生物科技美国第一有限公司 | 2022-03-15 | — | — | CN | disclosed |
| CN-106455570-A | Stabilization of isothiazolones in aqueous compositions | 陶氏环球技术有限责任公司 | 2017-02-22 | — | — | CN | disclosed |