⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8440538 | 0.78 | MEN1 (0.32) | — | |
| SCHEMBL3650040 | 0.78 | LMNA (0.35) | — | |
| SCHEMBL8986660 | 0.75 | KDM4E (0.40) | — | |
| SCHEMBL11435438 | 0.73 | NPC1 (0.31) | — | |
| SCHEMBL2188548 | 0.64 | — | — | |
| SCHEMBL377258 | 0.64 | ALDH1A1 (0.39) | — | |
| SCHEMBL10343025 | 0.64 | PTPN1 (0.33) | — | |
| SCHEMBL323191 | 0.63 | TNFSF11 (0.39) | — | |
| SCHEMBL10499576 | 0.62 | — | — | |
| SCHEMBL7787933 | 0.61 | HCAR2 (0.35) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0669326-B1 | Cyanoisoxazoles | BASF AG (DE) | 1999-12-22 | — | — | EP | claimed |
| EP-0669326-A1 | Cyanoisoxazoles | BASF Aktiengesellschaft (DE) | 1995-08-30 | — | — | EP | claimed |
| EP-0421226-B1 | Process for the preparation of isoxazole 4,5 dicarboxylic acid diesters | BASF AG (DE) | 1995-01-04 | — | — | EP | claimed |
| EP-0421224-B1 | Process for the preparation of isoxazole-5-carboxylic acid amide derivatives | BASF AG (DE) | 1994-08-24 | — | — | EP | claimed |
| EP-0447950-B1 | Process for the preparation of isoxazole-4,5-dicarboxylic acid esters | BASF AG (DE) | 1994-08-24 | — | — | EP | claimed |
| EP-0447950-A1 | Process for the preparation of isoxazole-4,5-dicarboxylic acid esters | BASF Aktiengesellschaft (DE) | 1991-09-25 | — | — | EP | claimed |
| EP-0421226-A2 | Process for the preparation of isoxazole 4,5 dicarboxylic acid diesters | BASF Aktiengesellschaft (DE) | 1991-04-10 | — | — | EP | claimed |
| EP-0421224-A2 | Process for the preparation of isoxazole-5-carboxylic acid amide derivatives | BASF Aktiengesellschaft (DE) | 1991-04-10 | — | — | EP | claimed |
| EP-0669326-B1 | Cyanoisoxazoles | BASF AG (DE) | 1999-12-22 | — | — | EP | disclosed |
| EP-0669326-A1 | Cyanoisoxazoles | BASF Aktiengesellschaft (DE) | 1995-08-30 | — | — | EP | disclosed |
| EP-0421226-B1 | Process for the preparation of isoxazole 4,5 dicarboxylic acid diesters | BASF AG (DE) | 1995-01-04 | — | — | EP | disclosed |
| EP-0421224-B1 | Process for the preparation of isoxazole-5-carboxylic acid amide derivatives | BASF AG (DE) | 1994-08-24 | — | — | EP | disclosed |
| EP-0447950-B1 | Process for the preparation of isoxazole-4,5-dicarboxylic acid esters | BASF AG (DE) | 1994-08-24 | — | — | EP | disclosed |
| EP-0447950-A1 | Process for the preparation of isoxazole-4,5-dicarboxylic acid esters | BASF Aktiengesellschaft (DE) | 1991-09-25 | — | — | EP | disclosed |
| EP-0421226-A2 | Process for the preparation of isoxazole 4,5 dicarboxylic acid diesters | BASF Aktiengesellschaft (DE) | 1991-04-10 | — | — | EP | disclosed |
| EP-0421224-A2 | Process for the preparation of isoxazole-5-carboxylic acid amide derivatives | BASF Aktiengesellschaft (DE) | 1991-04-10 | — | — | EP | disclosed |
| EP-0421224-A2 | Process for the preparation of isoxazole-5-carboxylic acid amide derivatives | BASF Aktiengesellschaft (DE) | 1991-04-10 | — | — | EP | disclosed |