⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL294386 | 0.72 | — | — | |
| SCHEMBL1305126 | 0.72 | — | — | |
| SCHEMBL537368 | 0.70 | — | — | |
| SCHEMBL21737385 | 0.70 | — | — | |
| SCHEMBL1914965 | 0.70 | — | — | |
| SCHEMBL28180840 | 0.70 | — | — | |
| SCHEMBL103897 | 0.69 | AURKA (0.36) | — | |
| Hydrochloric Acid SCHEMBL21597620 | 0.68 | ADORA2B (0.33) | — | |
| SCHEMBL23609550 | 0.67 | — | — | |
| SCHEMBL17173647 | 0.67 | KDM4E (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8053452-B2 | Substituted isoxazoline or enone oxime compound, and pest control agent | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2011-11-08 | — | — | US | disclosed |
| US-20100144808-A1 | SUBSTITUTED ISOXAZOLINE OR ENONE OXIME COMPOUND, AND PEST CONTROL AGENT | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2010-06-10 | — | — | US | disclosed |
| EP-2172448-A1 | SUBSTITUTED ISOXAZOLINE OR ENONE OXIME COMPOUND, AND PEST CONTROL AGENT | Nissan Chemical Industries, Ltd. (JP) | 2010-04-07 | — | — | EP | disclosed |
| US-20030212116-A1 | Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2003-11-13 | — | — | US | disclosed |
| EP-1243580-A1 | HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE | Nissan Chemical Industries, Ltd. (JP) | 2002-09-25 | — | — | EP | disclosed |