⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL701014 | 0.84 | — | — | |
| SCHEMBL701268 | 0.82 | EDNRB (0.30) | — | |
| SCHEMBL700999 | 0.81 | — | — | |
| Bromide SCHEMBL28689439 | 0.81 | — | — | |
| SCHEMBL27446270 | 0.80 | — | — | |
| SCHEMBL699409 | 0.80 | EDNRB (0.32) | — | |
| SCHEMBL28429620 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL6382453 | 0.78 | — | — | |
| SCHEMBL6379964 | 0.77 | KDM4E (0.32) | — | |
| SCHEMBL700751 | 0.77 | EDNRB (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1131307-B1 | METHOD OF PRODUCING 2-ALKYL-3-(4,5-DIHYDROISOXAZOLE-3-YL)-HALOBENZENES | BASF AG (DE) | 2004-08-25 | — | — | EP | disclosed |
| US-6716989-B2 | CYCLIZATION OF A BENZYLOXIME WITH BRANCHED ALKENE OR OF A BENZALKYLALDEHYDE WITH HYDROXYLAMINE AND SULFIDING | BASF AKTIENGESELLSCHAFT (DE) | 2004-04-06 | — | — | US | disclosed |
| US-20030229232-A1 | Herbicides | RACK MICHAEL (DE) | 2003-12-11 | — | — | US | disclosed |
| US-6603017-B2 | Herbicides | BASF AKTIENGESELLSCHAFT (DE) | 2003-08-05 | — | — | US | disclosed |
| US-6548677-B1 | Halogenating o-xylene; reacting with hydrogen peroxide and halogenating agent to form a benzyl halide; oxidation to aldehyde; oximination, cyclization, and sulfiding | BASF AKTIENGESELLSCHAFT (DE) | 2003-04-15 | — | — | US | disclosed |
| US-20020156290-A1 | Herbicides | RACK MICHAEL (DE) | 2002-10-24 | — | — | US | disclosed |
| EP-1131307-A1 | METHOD OF PRODUCING 2-ALKYL-3-(4,5-DIHYDROISOXAZOLE-3-YL)-HALOBENZENES | BASF AKTIENGESELLSCHAFT (DE) | 2001-09-12 | — | — | EP | disclosed |
| WO-2000029395-A1 | METHOD OF PRODUCING 2-ALKYL-3-(4,5-DIHYDROISOXAZOLE-3-YL)-HALOBENZENES | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-25 | — | — | WO | disclosed |