⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12821914 | 1.00 | — | — | |
| SCHEMBL1797502 | 1.00 | — | — | |
| SCHEMBL23743149 | 0.80 | — | — | |
| SCHEMBL6152259 | 0.79 | — | — | |
| SCHEMBL14510783 | 0.79 | — | — | |
| SCHEMBL1276350 | 0.77 | — | — | |
| SCHEMBL27689376 | 0.77 | — | — | |
| SCHEMBL11215510 | 0.76 | — | — | |
| SCHEMBL9059398 | 0.75 | MEN1 (0.58) | — | |
| SCHEMBL11402999 | 0.75 | — | — |
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-2435412-B1 | SACCHARIN, FUMARIC ACID, 1-HYDROXY-2-NAPHTHOIC ACID AND BENZOIC ACID SALTS OF 4-(DIMETHYLAMINO)BUTYL 2-(4-((2-AMINO-4-METHYL-6-(PENTYLAMINO)PYRIMIDIN-5-YL)METHYL)PHENYL)ACETATE | ASTRAZENECA AB (SE) | 2016-01-27 | — | — | EP | disclosed |
| WO-2010133882-A1 | DISACCHARIN, DIFUMARIC ACID, DI-L-HYDROXY-2-NAPHTHOIC ACID AND MONO-BENZOIC ACID SALTS OF 4- (DIMETHYLAMIN0)BUTYL 2- (4- ( (2-AMINO-4-METHYL-6- (PENTYLAMINO) PYRIMIDIN- 5 -YL) METHYL) PHENYL)ACETATE | ASTRAZENECA AB (SE) | 2010-11-25 | — | — | WO | disclosed |