⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2177830 | 0.77 | ALDH1A1 (0.38) | — | |
| SCHEMBL2177648 | 0.77 | S1PR1 (0.32) | — | |
| SCHEMBL2176878 | 0.76 | — | — | |
| SCHEMBL17007321 | 0.76 | — | — | |
| SCHEMBL2179003 | 0.76 | — | — | |
| SCHEMBL2179001 | 0.75 | — | — | |
| SCHEMBL2176818 | 0.72 | PTGS2 (0.41) | — | |
| SCHEMBL2177677 | 0.72 | HDAC4 (0.31) | — | |
| SCHEMBL2180961 | 0.72 | CYP1A1 (0.32) | — | |
| SCHEMBL1035122 | 0.71 | SMN1; SMN2 (0.34) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110166162-A1 | 1,2-Benzisothiazole Compounds Useful for Combating Animal Pests | BASF SE (DE) | 2011-07-07 | — | — | US | disclosed |
| US-20080227796-A1 | 7-Amino-6-Hetaryl-1,2,4-Triazolo[1,5-A]Pyrimidine Compounds and the Use Thereof for Controlling Pathogenic Fungi | BASF AKTIENGESELLSCHAFT (DE) | 2008-09-18 | — | — | US | disclosed |
| US-20080132412-A1 | 7-Amino-6-Heteroaryl-1,2,4-Triazolo[1,5-A]Pyrimidines and Their Use for Controlling Harmful Fungi | BASF AKTIENGESELLSCHAFT (DE) | 2008-06-05 | — | — | US | disclosed |
| EP-1828191-A2 | 7-AMINO-6-HETARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THE USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI | BASF AKTIENGESELLSCHAFT (DE) | 2007-09-05 | — | — | EP | disclosed |
| EP-1828190-A1 | 7-AMINO-6-HETEROARYL-1,2,4-TRIAZOLOÝ1,5-A¨PYRIMIDINES AND TO THE USE THEREOF FOR COMBATING PATHOGENIC FUNGI | BASF AKTIENGESELLSCHAFT (DE) | 2007-09-05 | — | — | EP | disclosed |
| WO-2006066818-A2 | 7-AMINO-6-HETARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THE USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI | BASF AKTIENGESELLSCHAFT (DE) | 2006-06-29 | — | — | WO | disclosed |
| WO-2006066799-A1 | 7-AMINO-6-HETEROARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINES AND TO THE USE THEREOF FOR COMBATING PATHOGENIC FUNGI | BASF AKTIENGESELLSCHAFT (DE) | 2006-06-29 | — | — | WO | disclosed |
| EP-1045833-A1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER INC. (US) | 2000-10-25 | — | — | EP | disclosed |
| WO-1999035130-A1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER PHARMACEUTICALS INC. (JP) | 1999-07-15 | — | — | WO | disclosed |