⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL736850 | 1.00 | — | — | |
| SCHEMBL13724537 | 0.73 | — | — | |
| SCHEMBL11206900 | 0.73 | — | — | |
| SCHEMBL11220709 | 0.73 | — | — | |
| SCHEMBL786592 | 0.69 | — | — | |
| SCHEMBL786593 | 0.69 | — | — | |
| SCHEMBL27994603 | 0.68 | CYP4F2 (0.33) | — | |
| SCHEMBL18803276 | 0.67 | GRIK1 (0.36) | — | |
| SCHEMBL7560375 | 0.67 | GRIK1 (0.36) | — | |
| SCHEMBL5138422 | 0.67 | GRIK1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102388027-B | Isothiazolyloxyphenylamidines and their use as fungicides | BAYER CROPSCIENCE AG | 2015-07-01 | — | — | CN | disclosed |
| US-8138211-B2 | Isothiazolyloxyphenylamidines and their use as fungicides | BAYER CROPSCIENCE AG (DE) | 2012-03-20 | — | — | US | disclosed |
| US-20110130282-A1 | Isothiazolyloxyphenylamidines and their use as fungicides | BAYER CROPSCIENCE AG (DE) | 2011-06-02 | — | — | US | disclosed |