⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8048996 | 0.82 | LOXL2 (0.46) | — | |
| SCHEMBL8208707 | 0.76 | — | — | |
| SCHEMBL164566 | 0.76 | — | — | |
| SCHEMBL13959814 | 0.76 | — | — | |
| SCHEMBL17959496 | 0.73 | — | — | |
| SCHEMBL30831319 | 0.73 | — | — | |
| SCHEMBL14020463 | 0.73 | — | — | |
| SCHEMBL25273562 | 0.71 | — | — | |
| SCHEMBL745600 | 0.71 | — | — | |
| SCHEMBL7880461 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017023975-A1 | 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF | SAMUMED, LLC. (US) | 2017-02-09 | — | — | WO | disclosed |
| WO-2017023973-A1 | 3-(1H-INDOL-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF | SAMUMED, LLC. (US) | 2017-02-09 | — | — | WO | disclosed |
| WO-2009042694-A1 | (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING | COMENTIS, INC. (US) | 2009-04-02 | — | — | WO | disclosed |
| WO-2009015369-A2 | COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2009-01-29 | — | — | WO | disclosed |
| WO-2008082487-A2 | NOVEL JNK INHIBITORS | SCHERING CORPORATION (US) | 2008-07-10 | — | — | WO | disclosed |