⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28683358 | 1.00 | — | — | |
| SCHEMBL28688969 | 1.00 | — | — | |
| SCHEMBL4179571 | 0.76 | ALDH1A1 (0.52) | — | |
| SCHEMBL7664678 | 0.75 | — | — | |
| SCHEMBL28932305 | 0.73 | — | — | |
| SCHEMBL11340690 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL28692925 | 0.73 | — | — | |
| SCHEMBL28688046 | 0.73 | — | — | |
| SCHEMBL28692926 | 0.73 | — | — | |
| SCHEMBL28694912 | 0.73 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114085163-B | Method for synthesizing 2, 3-tetrafluoro-2- (trifluoromethyl) propionitrile by gas phase catalytic fluorination | 化学与精细化工广东省实验室 | 2023-10-27 | — | — | CN | claimed |
| CN-114085163-A | Method for synthesizing 2,3,3, 3-tetrafluoro-2- (trifluoromethyl) propionitrile by gas-phase catalytic fluorination | 化学与精细化工广东省实验室 | 2022-02-25 | — | — | CN | claimed |
| CN-114085163-B | Method for synthesizing 2, 3-tetrafluoro-2- (trifluoromethyl) propionitrile by gas phase catalytic fluorination | 化学与精细化工广东省实验室 | 2023-10-27 | — | — | CN | disclosed |
| CN-114085163-A | Method for synthesizing 2,3,3, 3-tetrafluoro-2- (trifluoromethyl) propionitrile by gas-phase catalytic fluorination | 化学与精细化工广东省实验室 | 2022-02-25 | — | — | CN | disclosed |
| US-4888383-A | CHAIN EXTENSION | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1989-12-19 | — | — | US | disclosed |