⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28862004 | 0.77 | — | — | |
| SCHEMBL27693621 | 0.64 | ADH1B (0.38) | — | |
| SCHEMBL27647412 | 0.63 | ADH1B (0.30) | — | |
| SCHEMBL28233826 | 0.61 | — | — | |
| SCHEMBL28310282 | 0.60 | — | — | |
| SCHEMBL28161986 | 0.60 | — | — | |
| SCHEMBL7329448 | 0.58 | — | — | |
| SCHEMBL16437032 | 0.56 | — | — | |
| Hydrochloric Acid SCHEMBL28519717 | 0.54 | GNAI3 (0.31) | — | |
| SCHEMBL28148093 | 0.54 | ADH1B (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101102818-A | Medicaments comprising carbonyl compounds, and the use thereof | MERCK PATENT GMBH (DE) | 2008-01-09 | — | — | CN | disclosed |
| CN-1771237-A | 1- (phenylcarbamoyl) -2- (4- (3-oxo-morpholin-4-yl) -phenylcarbamoyl) pyrrolidine derivatives and related compounds as inhibitors of coagulation factor X A in the treatment of thromboembolic disorders | MERCK PATENT GMBH (DE) | 2006-05-10 | — | — | CN | disclosed |