⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7164155 | 0.92 | TP53 (0.32) | — | |
| SCHEMBL7160145 | 0.79 | HTR2A (0.35) | — | |
| SCHEMBL7163171 | 0.79 | — | — | |
| SCHEMBL7160155 | 0.72 | ALDH1A1 (0.45) | — | |
| SCHEMBL7374814 | 0.67 | TP53 (0.43) | — | |
| SCHEMBL3848312 | 0.62 | CYP11B1 (0.38) | — | |
| SCHEMBL8386864 | 0.61 | CYP11B1 (0.31) | — | |
| SCHEMBL26326405 | 0.61 | CYP11B1 (0.33) | — | |
| SCHEMBL1562700 | 0.61 | MAPT (0.45) | — | |
| SCHEMBL8387437 | 0.60 | CYP11B1 (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0934286-A1 | 3-ALKOXYISOXAZOL-4-YL-SUBSTITUTED 2-AMINO CARBOXYLIC ACID COMPOUNDS | H. LUNDBECK A/S (DK) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998015542-A1 | 3-ALKOXYISOXAZOL-4-YL-SUBSTITUTED 2-AMINO CARBOXYLIC ACID COMPOUNDS | H. LUNDBECK A/S (DK) | 1998-04-16 | — | — | WO | disclosed |