⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL64820 | 0.76 | GABRR1 (0.33) | — | |
| SCHEMBL4534102 | 0.69 | — | — | |
| SCHEMBL1306844 | 0.69 | — | — | |
| SCHEMBL39985 | 0.69 | — | — | |
| SCHEMBL9634762 | 0.69 | — | — | |
| SCHEMBL7795373 | 0.69 | — | — | |
| SCHEMBL20061730 | 0.69 | — | — | |
| SCHEMBL3856094 | 0.67 | — | — | |
| SCHEMBL4088488 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL4579532 | 0.65 | — | — |
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-20010046994-A1 | Hexahydrotriazine compounds and insecticides | AGRO-KANESHO CO., LTD. (JP) | 2001-11-29 | — | — | US | disclosed |
| US-6187773-B1 | 1-(2-CHLORO-5-PYRIDYLMETHYL)-3,5-DIMETHYL-2-NITROIMINOHEXA-HYD RO-1,3,5-TRIAZINE; NONPHYTOTOXIC | AGRO-KANESHO CO., LTD. (JP) | 2001-02-13 | — | — | US | disclosed |
| EP-0428941-B1 | Hexahydrotriazine compounds and insecticides | AGRO KANESHO CO LTD (JP) | 1995-05-03 | — | — | EP | disclosed |
| EP-0428941-A1 | Hexahydrotriazine compounds and insecticides | AGRO-KANESHO CO., LTD. (JP) | 1991-05-29 | — | — | EP | disclosed |