⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10352734 | 1.00 | — | — | |
| Ethylene Glycol SCHEMBL6423323 | 0.92 | ALDH1A1 (0.40) | — | |
| SCHEMBL4619010 | 0.83 | — | — | |
| SCHEMBL10439395 | 0.82 | ALDH1A1 (0.41) | — | |
| SCHEMBL2013521 | 0.82 | — | — | |
| SCHEMBL10946107 | 0.81 | ALDH1A1 (0.38) | — | |
| SCHEMBL28901869 | 0.81 | ALDH1A1 (0.39) | — | |
| SCHEMBL5370091 | 0.81 | ALDH1A1 (0.39) | — | |
| SCHEMBL5370099 | 0.81 | ALDH1A1 (0.39) | — | |
| SCHEMBL16153545 | 0.79 | ALDH1A1 (0.49) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103857656-B | Enantioselective process for insecticidal 3-aryl-3-trifluoromethyl-substituted pyrrolidines | 先正达参股股份有限公司 | 2016-09-14 | — | — | CN | disclosed |