⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9634853 | 0.79 | — | — | |
| SCHEMBL8355049 | 0.76 | — | — | |
| SCHEMBL16136742 | 0.76 | — | — | |
| SCHEMBL15120738 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL11770194 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL12814141 | 0.73 | — | — | |
| SCHEMBL4107403 | 0.71 | — | — | |
| SCHEMBL19031824 | 0.71 | — | — | |
| SCHEMBL2595093 | 0.70 | — | — | |
| SCHEMBL501854 | 0.67 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115838608-A | Fuel composition | 国际壳牌研究有限公司 | 2023-03-24 | — | — | CN | disclosed |
| CN-108603131-B | Fuel composition | 国际壳牌研究有限公司 | 2022-01-21 | — | — | CN | disclosed |
| WO-2017116356-A1 | DNA TARGETED MONO AND HETERODINUCLEAR COMPLEXES | ATILIM UNIVERSITESI (TR) | 2017-07-06 | — | — | WO | disclosed |
| CN-1364161-A | N-substituted perhydrodiazines | BASF AG (DE) | 2002-08-14 | — | — | CN | disclosed |
| 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 |
| CN-1269854-A | Polyammonium quaternary polymer for controlling anionic Trash and pitch deposition and treating coated broke | NALCO CHEMICAL CO (US) | 2000-10-11 | — | — | CN | 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 |