⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4242547 | 0.76 | DYRK1A (0.41) | — | |
| SCHEMBL4240710 | 0.68 | HTR6 (0.38) | — | |
| SCHEMBL4431167 | 0.65 | — | — | |
| SCHEMBL4069205 | 0.65 | — | — | |
| SCHEMBL11903621 | 0.60 | ABCB1 (0.31) | — | |
| SCHEMBL16049775 | 0.56 | — | — | |
| SCHEMBL16181675 | 0.55 | — | — | |
| SCHEMBL21321548 | 0.55 | — | — | |
| SCHEMBL22681182 | 0.53 | — | — | |
| SCHEMBL22624388 | 0.49 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2040711-A2 | 2-OXO-1,2-DIHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND USES THEREOF AS ANTIPROLIFERATIVE AGENTS | Amphora Discovery Corporation (US) | 2009-04-01 | — | — | EP | claimed |
| WO-2007136592-A2 | 2-0X0-L,2-DIHYDR0QUIN0LINE DERIVATIVES, COMPOSITIONS, AND USES THEREOF AS ANTIPROLIFERATIVE AGENTS | AMPHORA DISCOVERY CORPORATION (US) | 2007-11-29 | — | — | WO | claimed |
| US-9290512-B2 | Activators of human pyruvate kinase | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2016-03-22 | — | — | US | disclosed |
| US-20150105395-A1 | ACTIVATORS OF HUMAN PYRUVATE KINASE | US HEALTH (US) | 2015-04-16 | — | — | US | disclosed |
| US-20120302609-A1 | Pyrazolines for the Modulation of PKM2 | DYNAMIX PHARMACEUTICALS LTD. (IL) | 2012-11-29 | — | — | US | disclosed |
| WO-2011123678-A2 | SUBSTITUTED BENZO-PYRIDO-TRIAZOLO-DIAZEPINE COMPOUNDS | ARQULE, INC. (US) | 2011-10-06 | — | — | WO | disclosed |