⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9189909 | 0.86 | — | — | |
| SCHEMBL9185358 | 0.80 | — | — | |
| SCHEMBL9185017 | 0.74 | DHFR (0.32) | — | |
| SCHEMBL9187772 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL9190290 | 0.72 | GAA (0.44) | — | |
| SCHEMBL7804014 | 0.70 | — | — | |
| SCHEMBL9183979 | 0.70 | MEN1 (0.37) | — | |
| SCHEMBL175478 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL9188465 | 0.69 | — | — | |
| SCHEMBL9184504 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0470434-B1 | Trifluoro- resp. chlorodifluoromethoxy-1,3-5-triazine and process for their preparation | BASF AG (DE) | 1995-10-11 | — | — | EP | disclosed |
| US-5280118-A | Trifluoro-and chlorodifluoromethoxy-1,3,5-triazines | BASF AKTIENGESELLSCHAFT (DE) | 1994-01-18 | — | — | US | disclosed |
| US-5194610-A | TRIFLUORO- AND CHLORODIFLUOROMETHOXY-1,3,5-TRIAZINES AND THE PREPARATION THEREOF | BASF AKTIENGESELLSCHAFT (DE) | 1993-03-16 | — | — | US | disclosed |
| EP-0470434-A2 | Trifluoro- resp. chlorodifluoromethoxy-1,3-5-triazine and process for their preparation | BASF Aktiengesellschaft (DE) | 1992-02-12 | — | — | EP | disclosed |