⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9629047 | 0.79 | CES2 (0.39) | — | |
| SCHEMBL15850520 | 0.73 | KIF11 (0.36) | — | |
| SCHEMBL31576823 | 0.73 | — | — | |
| SCHEMBL9693627 | 0.71 | NOTUM (0.43) | — | |
| SCHEMBL20823474 | 0.71 | ACHE (0.33) | — | |
| SCHEMBL16652774 | 0.71 | KDM1A (0.31) | — | |
| SCHEMBL9747444 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL20824099 | 0.71 | NOTUM (0.43) | — | |
| SCHEMBL7593746 | 0.71 | — | — | |
| SCHEMBL28391679 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5648567-A | INTERMEDIATES FOR BACTERICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-07-15 | — | — | US | disclosed |
| EP-0607826-B1 | Fluoro-trifluoromethylbenzoic acid derivatives | BAYER AG (DE) | 1997-05-07 | — | — | EP | disclosed |
| US-5493048-A | REACTING METALLIZED FLUORO-TRIFLUOROMETHYLBENZENE DERIVATIVE WITH CARBON DIOXIDE AND PRODUCT IS THEN HYDROLYSED WITH AN ACID TO FORM ACID, SIMILARLY HALOGENATION GIVE ACID HALIDE AND WITH ALCOHOL GIVES ESTER | BAYER AKTIENGESELLSCHAFT (DE) | 1996-02-20 | — | — | US | disclosed |
| EP-0607826-A1 | Fluoro-Trifluoromethylbenzoic acid derivatives | BAYER AG (DE) | 1994-07-27 | — | — | EP | disclosed |