⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27694116 | 1.00 | — | — | |
| SCHEMBL27900543 | 1.00 | — | — | |
| SCHEMBL28780419 | 0.77 | POLB (0.33) | — | |
| SCHEMBL28849318 | 0.72 | HPGD (0.37) | — | |
| SCHEMBL4303583 | 0.71 | CYP2D6 (0.32) | — | |
| SCHEMBL8516214 | 0.71 | CYP2D6 (0.32) | — | |
| SCHEMBL1133959 | 0.65 | — | — | |
| SCHEMBL27943617 | 0.65 | — | — | |
| SCHEMBL8944751 | 0.65 | EPHX1 (0.57) | — | |
| SCHEMBL27699290 | 0.65 | MAPT (0.36) | — |
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-101356168-A | Quinazolines useful as modulators of voltage gated ion channels | VERTEX PHARMA (US) | 2009-01-28 | — | — | CN | disclosed |
| CN-101277951-A | 2-aminopyrimidine derivatives as modulators of the histamine H4 receptor activity | PALAU PHARMA SA (ES) | 2008-10-01 | — | — | CN | disclosed |