⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11317 | 0.98 | — | — | |
| SCHEMBL10484488 | 0.96 | — | — | |
| Water SCHEMBL28393920 | 0.96 | ALOX15 (0.44) | — | |
| Water SCHEMBL28225800 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL29101117 | 0.96 | ALOX15 (0.44) | — | |
| Ammonia Solution, Strong SCHEMBL8665541 | 0.96 | — | — | |
| SCHEMBL28137737 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL3806550 | 0.96 | — | — | |
| Bromide SCHEMBL29170666 | 0.96 | ALOX15 (0.44) | — | |
| Methane SCHEMBL27525308 | 0.96 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103173293-B | By the method for preparing biological diesel fuel by high-acid-value grease | 北京石油化工学院 | 2016-11-09 | — | — | CN | claimed |
| CN-114685495-B | N-difluoromethyl diazacyclo selenourea compound with insecticidal, bacteriostatic, herbicidal and anticancer effects and preparation and application thereof | 华南农业大学 | 2023-08-04 | — | — | CN | disclosed |
| CN-103173293-B | By the method for preparing biological diesel fuel by high-acid-value grease | 北京石油化工学院 | 2016-11-09 | — | — | CN | disclosed |