⚠ 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 | — | — | |
| SCHEMBL5637534 | 0.81 | TUBB4A (0.32) | — | |
| SCHEMBL5638953 | 0.78 | — | — | |
| SCHEMBL30480733 | 0.77 | MAPT (0.33) | — | |
| SCHEMBL6982039 | 0.77 | MAPT (0.33) | — | |
| SCHEMBL14844544 | 0.75 | — | — | |
| SCHEMBL6995825 | 0.73 | — | — | |
| SCHEMBL30480757 | 0.72 | ALOX15 (0.31) | — | |
| SCHEMBL6666084 | 0.70 | — | — | |
| SCHEMBL7939753 | 0.67 | ALDH1A1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0966452-B1 | PROCESS FOR PREPARING SULPHUROUS 2-CHLORO-3-(4,5-DIHYDROISOXAZOL-3-YL)-BENZOIC ACIDS | BASF AG (DE) | 2003-05-02 | — | — | EP | disclosed |
| US-6124469-A | Process for preparing sulphurous 2-chloro-3-(4,5-dihydroisoxazol-3-yl)-benzoic acids | BASF AKTIENGESELLSCHAFT (DE) | 2000-09-26 | — | — | US | disclosed |
| EP-0966452-A1 | PROCESS FOR PREPARING SULPHUROUS 2-CHLORO-3-(4,5-DIHYDROISOXAZOL-3-YL)-BENZOIC ACIDS | BASF AKTIENGESELLSCHAFT (DE) | 1999-12-29 | — | — | EP | disclosed |
| WO-1998031676-A1 | PROCESS FOR PREPARING SULPHUROUS 2-CHLORO-3-(4,5-DIHYDROISOXAZOL-3-YL)-BENZOIC ACIDS | BASF AKTIENGESELLSCHAFT (DE) | 1998-07-23 | — | — | WO | disclosed |