⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14968332 | 0.80 | MIF (0.33) | — | |
| SCHEMBL12987680 | 0.74 | SHBG (0.40) | — | |
| SCHEMBL14968308 | 0.67 | ESR1 (0.45) | — | |
| SCHEMBL12987863 | 0.67 | CYP2D6 (0.38) | — | |
| SCHEMBL14967961 | 0.64 | MAOB (0.40) | — | |
| SCHEMBL14967871 | 0.62 | TAAR1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL7459908 | 0.61 | LMNA (0.49) | — | |
| SCHEMBL12333499 | 0.60 | CA12 (0.41) | — | |
| SCHEMBL15272244 | 0.59 | CPN1 (0.36) | — | |
| SCHEMBL14969283 | 0.59 | KMT2A (0.53) | — |
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-2780337-A1 | SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS | Merck Sharp & Dohme Corp. (US) | 2014-09-24 | — | — | EP | disclosed |
| WO-2013074388-A1 | SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2013-05-23 | — | — | WO | disclosed |