⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8728800 | 0.83 | EIF4A3 (0.31) | — | |
| SCHEMBL18286999 | 0.79 | EIF4A3 (0.42) | — | |
| SCHEMBL11322401 | 0.77 | PDE2A (0.32) | — | |
| SCHEMBL5704393 | 0.76 | CYP3A4 (0.47) | — | |
| SCHEMBL15608453 | 0.73 | — | — | |
| SCHEMBL11601702 | 0.71 | CYP3A4 (0.32) | — | |
| SCHEMBL28935960 | 0.71 | CYP1A2 (0.31) | — | |
| SCHEMBL9623249 | 0.70 | LMNA (0.33) | — | |
| SCHEMBL9321423 | 0.67 | CYP3A4 (0.53) | — | |
| SCHEMBL9644567 | 0.66 | CYP3A4 (0.59) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5777181-A | 2, 4, 5-trihalogeno- and 2, 3, 4, 5-tetrahalogenobenzene derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1998-07-07 | — | — | US | disclosed |
| US-5565614-A | FLUORINATION | BAYER AKTIENGESELLSCHAFT (DE) | 1996-10-15 | — | — | US | disclosed |
| US-5530158-A | CHEMICAL INTERMEDIATE FOR ANTIBACTERIALS | BAYER AKTIENGESELLSCHAFT (DE) | 1996-06-25 | — | — | US | disclosed |
| US-5362909-A | Two stage fluorination | BAYER AKTIENGESELLSCHAFT (DE) | 1994-11-08 | — | — | US | disclosed |
| US-5200548-A | Intermediates for bactericides | BAYER AKTIENGESELLSCHAFT (DE) | 1993-04-06 | — | — | US | disclosed |
| US-5072038-A | Chemical intermediates for bactericides | BAYER AKTIENGESELLSCHAFT (DE) | 1991-12-10 | — | — | US | disclosed |
| EP-0164619-B1 | 2,4,5-TRIHALO OR 2,3,4,5-TETRAHALO BENZENE DERIVATIVES AND PROCESS FOR PRODUCING THEM | BAYER AG (DE) | 1988-10-12 | — | — | EP | disclosed |
| EP-0164619-A1 | 2,4,5-Trihalo or 2,3,4,5-tetrahalo benzene derivatives and process for producing them | BAYER AG (DE) | 1985-12-18 | — | — | EP | disclosed |