⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4256774 | 0.71 | KDM4E (0.32) | — | |
| SCHEMBL4256769 | 0.71 | KDM4E (0.32) | — | |
| SCHEMBL18534817 | 0.68 | — | — | |
| SCHEMBL8745063 | 0.67 | MAPT (0.37) | — | |
| SCHEMBL14737431 | 0.66 | GPR3 (0.32) | — | |
| SCHEMBL4723323 | 0.66 | — | — | |
| SCHEMBL4718444 | 0.65 | — | — | |
| SCHEMBL8307303 | 0.65 | — | — | |
| SCHEMBL8307299 | 0.65 | — | — | |
| SCHEMBL4254229 | 0.64 | L3MBTL1 (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5817682-A | OXALOXIMES OF PYRAZOLES AND ISOXAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 1998-10-06 | — | — | US | disclosed |
| US-5672616-A | FUNGICIDE | BASF AKTIENGESELLSCHAFT (DE) | 1997-09-30 | — | — | US | disclosed |
| US-5663185-A | FUNGICIDES, INSECTICIDES, NEMATOCIDES | BASF AKTIENGESELLSCHAFT (DE) | 1997-09-02 | — | — | US | disclosed |
| EP-0579071-A2 | Heteroaromatic compounds and plant-protecting agents containing them | BASF Aktiengesellschaft (DE) | 1994-01-19 | — | — | EP | disclosed |