⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28566 | 0.94 | — | — | |
| SCHEMBL1542904 | 0.94 | — | — | |
| SCHEMBL16702588 | 0.94 | — | — | |
| SCHEMBL4160057 | 0.89 | — | — | |
| SCHEMBL43560 | 0.89 | — | — | |
| SCHEMBL25290220 | 0.89 | — | — | |
| SCHEMBL196421 | 0.89 | — | — | |
| SCHEMBL23289804 | 0.89 | — | — | |
| SCHEMBL19124729 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL700462 | 0.89 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5929281-A | REACTING A HETROCYCLIC AROMATIC HALIDE WITH AN AMINE COMPOUND IN PRESENCE OF A BASE USING A TRI-TERT-BUTYLPHOSPHINE AND PALLADIUM COMPOUND CATALYST TO FORM HETEROCYCLIC AROMATIC AMINE COMPOUNDS | TOSOH CORPORATION (JP) | 1999-07-27 | — | — | US | claimed |
| CN-106488902-A | Method for producing alkynyl ketone derivative | 盐野义制药株式会社 | 2017-03-08 | — | — | CN | disclosed |
| US-8097691-B2 | Preparation of polyisocyanates of the trimer type | BAYER MATERIALSCIENCE AG (DE) | 2012-01-17 | — | — | US | disclosed |
| US-20100069417-A1 | NOVEL PHENYL(4-PHENYLPYRIMIDIN-2-YL)AMINE DERIVATIVES, THEIR PREPARATION, AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS | SANOFI-AVENTIS (FR) | 2010-03-18 | — | — | US | disclosed |
| US-20090234091-A1 | PREPARATION OF POLYISOCYANATES OF THE TRIMER TYPE | BAYER MATERIALSCIENCE AG (DE) | 2009-09-17 | — | — | US | disclosed |