⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL10404726 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL28255663 | 0.82 | ALDH1A1 (0.35) | — | |
| SCHEMBL28263457 | 0.82 | ALDH1A1 (0.35) | — | |
| Hydrogen Peroxide SCHEMBL27786199 | 0.82 | — | — | |
| SCHEMBL27331995 | 0.81 | DGAT1 (0.31) | — | |
| SCHEMBL27771954 | 0.80 | ALDH1A1 (0.33) | — | |
| Propene SCHEMBL7638489 | 0.80 | LMNA (0.32) | — | |
| SCHEMBL27771953 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL28114520 | 0.80 | ALDH1A1 (0.36) | — | |
| Chloromethane SCHEMBL27320408 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106025344-A | Flame-retardant electrolyte for lithium ion battery | 东风商用车有限公司 | 2016-10-12 | — | — | CN | claimed |
| CN-106025344-A | Flame-retardant electrolyte for lithium ion battery | 东风商用车有限公司 | 2016-10-12 | — | — | CN | disclosed |