⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17845482 | 0.71 | — | — | |
| SCHEMBL17845747 | 0.64 | — | — | |
| SCHEMBL981795 | 0.62 | — | — | |
| SCHEMBL17845702 | 0.62 | — | — | |
| SCHEMBL4912273 | 0.53 | — | — | |
| SCHEMBL14470625 | 0.52 | — | — | |
| SCHEMBL4922163 | 0.51 | — | — | |
| SCHEMBL4922350 | 0.48 | — | — | |
| SCHEMBL27878496 | 0.47 | — | — | |
| SCHEMBL1148820 | 0.46 | — | — |
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-3233860-A1 | SUBSTITUTED 6-ANILINO-9-HETEROCYCLYLPURINE DERIVATIVES FOR INHIBITION OF PLANT STRESS | Univerzita Palackého V Olomouci (CZ) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016095881-A1 | SUBSTITUTED 6-ANILINO-9-HETEROCYCLYLPURINE DERIVATIVES FOR INHIBITION OF PLANT STRESS | UNIVERZITA PALACKEHO V OLOMOUCI (CZ) | 2016-06-23 | — | — | WO | disclosed |