⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4723369 | 0.67 | — | — | |
| SCHEMBL8155313 | 0.65 | — | — | |
| SCHEMBL14088942 | 0.65 | — | — | |
| SCHEMBL4909898 | 0.61 | — | — | |
| SCHEMBL12411188 | 0.59 | — | — | |
| SCHEMBL2357618 | 0.52 | — | — | |
| SCHEMBL47225 | 0.51 | — | — | |
| SCHEMBL15568358 | 0.49 | MEN1 (0.33) | — | |
| SCHEMBL2182073 | 0.46 | — | — | |
| SCHEMBL359443 | 0.46 | ALDH1A1 (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090258885-A1 | Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis | MERCK SHARP & DOHME CORP. | 2009-10-15 | — | — | US | disclosed |
| US-20080262010-A1 | CRYSTALLINE POLYMORPHS OF N-(3-(DIMETHYLAMINO)PROPYL)-4-(4-(3-FLUORO-4-METHOXYPHENYL) PYRIMIDIN-2-YLAMINO) BENZENESULFONAMIDE AS D-GLUCORONATE SALTS | WYETH (US) | 2008-10-23 | — | — | US | disclosed |
| US-20070244140-A1 | Anilino-pyrimidine phenyl and benzothiophene analogs | WYETH (US) | 2007-10-18 | — | — | US | disclosed |