⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL592904 | 0.70 | — | — | |
| SCHEMBL22807042 | 0.70 | — | — | |
| SCHEMBL18249302 | 0.62 | — | — | |
| SCHEMBL19641547 | 0.61 | — | — | |
| SCHEMBL21801531 | 0.59 | — | — | |
| SCHEMBL8694480 | 0.58 | — | — | |
| SCHEMBL7703514 | 0.56 | — | — | |
| SCHEMBL23273570 | 0.56 | — | — | |
| SCHEMBL2470905 | 0.55 | — | — | |
| SCHEMBL1009203 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016191935-A1 | 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-12-08 | — | — | WO | disclosed |
| EP-3080114-A1 | FUSED TRICYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY | UCB Biopharma SPRL (BE) | 2016-10-19 | — | — | EP | disclosed |
| WO-2015086527-A1 | FUSED TRICYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY | UCB BIOPHARMA SPRL (BE) | 2015-06-18 | — | — | WO | disclosed |
| WO-2008012623-A1 | BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR | PFIZER PRODUCTS INC. (US) | 2008-01-31 | — | — | WO | disclosed |