⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27286138 | 0.80 | — | — | |
| SCHEMBL1527752 | 0.80 | — | — | |
| SCHEMBL7134538 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL9528592 | 0.78 | DAO (0.42) | — | |
| Isopropylamine SCHEMBL9465349 | 0.76 | KDM4E (0.41) | — | |
| SCHEMBL9637627 | 0.76 | — | — | |
| SCHEMBL22367374 | 0.75 | CSNK2A2 (0.42) | — | |
| SCHEMBL17395181 | 0.75 | LMNA (0.31) | — | |
| SCHEMBL27311130 | 0.74 | — | — | |
| SCHEMBL30419057 | 0.74 | NNMT (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-7196637-A | — | — | None | — | — | JP | disclosed |
| JP-H07196637-A | PRODUCTION OF ISOTHIAZOLECARBOXYMIDE DERIVATIVE | MITSUI TOATSU CHEM INC | 1995-08-01 | — | — | JP | disclosed |