⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16446468 | 0.69 | — | — | |
| SCHEMBL13281358 | 0.62 | GABRA1 (0.38) | — | |
| SCHEMBL9422386 | 0.61 | GABRA1 (0.35) | — | |
| SCHEMBL1778696 | 0.60 | NPSR1 (0.30) | — | |
| SCHEMBL1360214 | 0.60 | — | — | |
| SCHEMBL7060322 | 0.60 | — | — | |
| SCHEMBL970236 | 0.60 | — | — | |
| SCHEMBL30679 | 0.60 | GABRA1 (0.47) | — | |
| Charcoal, Activated SCHEMBL9723291 | 0.58 | GABRA1 (0.45) | — | |
| Methane SCHEMBL28621463 | 0.58 | GABRA1 (0.45) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3145915-A1 | ANTIDIABETIC TRICYCLIC COMPOUNDS | Merck Sharp & Dohme Corp. (US) | 2017-03-29 | — | — | EP | disclosed |
| EP-3055288-A1 | ANTIDIABETIC TRICYCLIC COMPOUNDS | Merck Sharp & Dohme Corp. (US) | 2016-08-17 | — | — | EP | disclosed |
| WO-2015176640-A1 | ANTIDIABETIC TRICYCLIC COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2015-11-26 | — | — | WO | disclosed |
| WO-2015051725-A1 | ANTIDIABETIC TRICYCLIC COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | WO | disclosed |