⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8376258 | 0.84 | — | — | |
| SCHEMBL6987243 | 0.84 | — | — | |
| SCHEMBL7876056 | 0.77 | SCN1A (0.31) | — | |
| SCHEMBL11240387 | 0.76 | OPRL1 (0.30) | — | |
| SCHEMBL992562 | 0.73 | — | — | |
| SCHEMBL24494545 | 0.72 | — | — | |
| SCHEMBL18543770 | 0.72 | — | — | |
| SCHEMBL635169 | 0.72 | OPRL1 (0.32) | — | |
| SCHEMBL11849600 | 0.70 | SIGMAR1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL29030884 | 0.70 | GNAI3 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2970200-A1 | PYRIDINE CDK9 KINASE INHIBITORS | Abbvie Inc. (US) | 2016-01-20 | — | — | EP | disclosed |
| WO-2014160017-A1 | PYRIDINE CDK9 KINASE INHIBITORS | ABBVIE INC. (US) | 2014-10-02 | — | — | WO | disclosed |
| WO-2011008915-A1 | PYRROLOPYRIDINE INHIBITORS OF KINASES | ABBOTT LABORATORIES (US) | 2011-01-20 | — | — | WO | disclosed |