⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10157906 | 0.86 | CA1 (0.33) | — | |
| SCHEMBL14591129 | 0.78 | — | — | |
| SCHEMBL16511466 | 0.71 | CA1 (0.41) | — | |
| SCHEMBL3686374 | 0.70 | — | — | |
| SCHEMBL12186380 | 0.70 | CA1 (0.40) | — | |
| SCHEMBL16423308 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL19920454 | 0.65 | CA1 (0.30) | — | |
| SCHEMBL1253233 | 0.65 | — | — | |
| SCHEMBL29165209 | 0.64 | — | — | |
| SCHEMBL313389 | 0.62 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102712649-A | Benzimidazole derivatives and pharmaceutical compositions and uses thereof | KBP BIOSCIENCES CO LTD | 2012-10-03 | — | — | CN | disclosed |
| EP-1377288-B1 | 2,1-OXAZOLINE AND 1,2-PYRAZOLINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND USE | BRISTOL MYERS SQUIBB CO (US) | 2009-09-23 | — | — | EP | disclosed |
| EP-1261586-B1 | CYCLOPROPYL-FUSED PYRROLIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV, PROCESSES FOR THEIR PREPARATION, AND THEIR USE | BRISTOL MYERS SQUIBB CO (US) | 2008-05-21 | — | — | EP | disclosed |