⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17870974 | 0.70 | CYP19A1 (0.31) | — | |
| SCHEMBL10990035 | 0.58 | — | — | |
| SCHEMBL6240340 | 0.56 | CA1 (0.37) | — | |
| SCHEMBL6015977 | 0.55 | KMT2A (0.39) | — | |
| SCHEMBL3687007 | 0.52 | MAPT (0.38) | — | |
| SCHEMBL28579114 | 0.50 | — | — | |
| SCHEMBL22040876 | 0.50 | NOS3 (0.40) | — | |
| SCHEMBL18571361 | 0.50 | MAPT (0.32) | — | |
| SCHEMBL8130407 | 0.50 | MDM2 (0.45) | — | |
| SCHEMBL24240091 | 0.49 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3236752-A2 | NOVEL ISOTHIAZOLAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES | Bayer CropScience Aktiengesellschaft (DE) | 2017-11-01 | — | — | EP | disclosed |
| WO-2016102435-A2 | NOVEL ISOTHIAZOLAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-06-30 | — | — | WO | disclosed |