⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29175214 | 0.76 | CYP1A2 (0.38) | — | |
| SCHEMBL4636359 | 0.74 | PKM (0.34) | — | |
| SCHEMBL16306934 | 0.72 | — | — | |
| SCHEMBL7862999 | 0.71 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL8111635 | 0.71 | PKM (0.38) | — | |
| SCHEMBL29926635 | 0.71 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL27346255 | 0.71 | PKM (0.35) | — | |
| SCHEMBL21260536 | 0.71 | — | — | |
| SCHEMBL91252 | 0.69 | — | — | |
| SCHEMBL12400893 | 0.66 | — | — |
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-1940797-A2 | 8-SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS | Array Biopharma, Inc. (US) | 2008-07-09 | — | — | EP | disclosed |
| WO-2007024612-A2 | 8-SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS | ARRAY BIOPHARMA INC. (US) | 2007-03-01 | — | — | WO | disclosed |