⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24085378 | 0.79 | — | — | |
| Maleic Hydrazide SCHEMBL28427736 | 0.78 | CYP1A2 (0.35) | — | |
| SCHEMBL26216377 | 0.77 | — | — | |
| SCHEMBL8628486 | 0.77 | — | — | |
| SCHEMBL14395838 | 0.77 | — | — | |
| SCHEMBL15947371 | 0.77 | — | — | |
| SCHEMBL402127 | 0.77 | — | — | |
| Maleic Hydrazide SCHEMBL1534936 | 0.76 | CYP1A2 (0.44) | — | |
| Maleic Hydrazide SCHEMBL55070 | 0.76 | CYP1A2 (0.44) | — | |
| Maleic Hydrazide SCHEMBL466482 | 0.76 | CYP1A2 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6454818-B1 | REACTING N,N-DIALKYLALKYLENEDIAMINE WITH ALKYL ESTER TO FORM SECONDARY AMIDE, REACTION WITH EPOXIDE TO FORM OXYALKYLATED AMINOAMIDE; DETERGENCY AND OCTANE REQUIREMENT REDUCTION. | CHINESE PETROLEUM CORP. (TW) | 2002-09-24 | — | — | US | disclosed |
| US-6454818-B1 | REACTING N,N-DIALKYLALKYLENEDIAMINE WITH ALKYL ESTER TO FORM SECONDARY AMIDE, REACTION WITH EPOXIDE TO FORM OXYALKYLATED AMINOAMIDE; DETERGENCY AND OCTANE REQUIREMENT REDUCTION. | CHINESE PETROLEUM CORP. (TW) | 2002-09-24 | — | — | US | disclosed |