⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9013075 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL11766629 | 0.66 | — | — | |
| SCHEMBL1114619 | 0.64 | — | — | |
| SCHEMBL11764053 | 0.62 | TSHR (0.38) | — | |
| Hypochlorous Acid SCHEMBL11409988 | 0.61 | — | — | |
| SCHEMBL22519796 | 0.61 | MCL1 (0.41) | — | |
| SCHEMBL7715393 | 0.61 | ALDH1A1 (0.30) | — | |
| SCHEMBL3142369 | 0.61 | ALDH1A1 (0.30) | — | |
| Cyanate SCHEMBL27896350 | 0.61 | CA1 (0.35) | — | |
| SCHEMBL276239 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4032322-A | ISOTHIAZOLYLFORMAMIDINE DERIVATIVES AS HERBICIDES | GIBBONS LOREN KENNETH | 1977-06-28 | — | — | US | disclosed |