⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9183763 | 0.83 | — | — | |
| SCHEMBL8568961 | 0.75 | — | — | |
| SCHEMBL26556 | 0.74 | MEN1 (0.31) | — | |
| SCHEMBL134811 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL9616927 | 0.70 | — | — | |
| SCHEMBL3172913 | 0.70 | — | — | |
| SCHEMBL7111906 | 0.70 | — | — | |
| SCHEMBL2370876 | 0.70 | — | — | |
| SCHEMBL5088026 | 0.67 | — | — | |
| SCHEMBL334206 | 0.65 | CYP3A4 (0.33) | — |
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 6 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 | claimed |
| EP-0470434-A2 | Trifluoro- resp. chlorodifluoromethoxy-1,3-5-triazine and process for their preparation | BASF Aktiengesellschaft (DE) | 1992-02-12 | — | — | EP | claimed |
| 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 |