⚠ 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 | |
|---|---|---|---|---|
| Isothiazole SCHEMBL5679 | 1.00 | — | — | |
| Isothiazole SCHEMBL27729992 | 0.96 | — | — | |
| Isothiazole SCHEMBL28200799 | 0.96 | — | — | |
| Benzene SCHEMBL27379971 | 0.96 | — | — | |
| Isothiazole SCHEMBL28981301 | 0.96 | — | — | |
| Isothiazole SCHEMBL28063961 | 0.96 | — | — | |
| Isothiazole SCHEMBL9391996 | 0.96 | — | — | |
| Isothiazole SCHEMBL30450994 | 0.96 | — | — | |
| Isothiazole SCHEMBL28168124 | 0.96 | — | — | |
| Isothiazole SCHEMBL27525564 | 0.96 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0770085-B1 | HETEROAROMATIC DIPHOSPHINES AS CHIRAL LIGANDS | CHEMI SPA (IT) | 1999-09-22 | — | — | EP | claimed |
| CN-110036341-A | Photosensitive resin composition, photosensitive resin laminate, method for producing resin pattern, and method for producing cured film pattern | 旭化成株式会社 | 2019-07-19 | — | — | CN | disclosed |
| US-8119626-B2 | Oxime derivative and preparations thereof | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2012-02-21 | — | — | US | disclosed |