⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL215360 | 1.00 | — | — | |
| SCHEMBL6314499 | 1.00 | — | — | |
| SCHEMBL17867090 | 1.00 | — | — | |
| SCHEMBL1114506 | 1.00 | — | — | |
| SCHEMBL6314501 | 1.00 | — | — | |
| SCHEMBL215359 | 1.00 | — | — | |
| SCHEMBL15106958 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL738528 | 0.97 | DPP4 (0.47) | — | |
| Hydrochloric Acid SCHEMBL738527 | 0.97 | DPP4 (0.47) | — | |
| Hydrochloric Acid SCHEMBL6556151 | 0.97 | DPP4 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2486011-B1 | MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 | BRISTOL MYERS SQUIBB CO (US) | 2017-04-26 | — | — | EP | disclosed |
| WO-2014095773-A1 | PEPTIDES AS OXYTOCIN AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-06-26 | — | — | WO | disclosed |
| CN-102656145-A | Modulators of G-protein coupled receptor 88 | BRISTOL MYERS SQUIBB CO | 2012-09-05 | — | — | CN | disclosed |