⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL69656 | 1.00 | — | — | |
| SCHEMBL19358640 | 1.00 | — | — | |
| SCHEMBL25230704 | 1.00 | — | — | |
| SCHEMBL71652 | 0.96 | — | — | |
| SCHEMBL135066 | 0.88 | — | — | |
| SCHEMBL166539 | 0.79 | — | — | |
| SCHEMBL2013452 | 0.76 | — | — | |
| SCHEMBL11772391 | 0.74 | — | — | |
| SCHEMBL69662 | 0.74 | — | — | |
| SCHEMBL11773655 | 0.74 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017160926-A1 | ANALGESIC COMPOUNDS | KALYRA PHARMACEUTICALS, INC. (US) | 2017-09-21 | — | — | WO | claimed |
| WO-2024064178-A1 | HEXAHYDRO-2H-PYRIDO[2,1-A]ISOQUINOLINE VMAT2 INHIBITORS AND METHODS OF USE | NEUROCRINE BIOSCIENCES, INC. (US) | 2024-03-28 | — | — | WO | disclosed |
| US-20230373960-A1 | INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS | BEONE MEDICINES I GMBH (CH) | 2023-11-23 | — | — | US | disclosed |
| EP-2968287-B1 | N-ACYL-N'-(PYRIDIN-2-YL) UREAS AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES | DECIPHERA PHARMACEUTICALS LLC (US) | 2020-06-24 | — | — | EP | disclosed |
| WO-2017160926-A1 | ANALGESIC COMPOUNDS | KALYRA PHARMACEUTICALS, INC. (US) | 2017-09-21 | — | — | WO | disclosed |
| US-9382228-B2 | N-acyl-N′-(pyridin-2-yl) ureas and analogs exhibiting anti-cancer and anti-proliferative activities | DECIPHERA PHARMACEUTICALS, LLC (US) | 2016-07-05 | — | — | US | disclosed |
| EP-2968287-A2 | N-ACYL-N'-(PYRIDIN-2-YL) UREAS AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES | Deciphera Pharmaceuticals, LLC (US) | 2016-01-20 | — | — | EP | disclosed |
| US-20140275080-A1 | N-Acyl-N'-(pyridin-2-yl) Ureas and Analogs Exhibiting Anti-Cancer and Anti-Proliferative Activities | DECIPHERA PHARMACEUTICALS, LLC (US) | 2014-09-18 | — | — | US | disclosed |
| WO-2014145028-A2 | N-ACYL-N'-(PYRIDIN-2-YL) UREAS AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES | DECIPHERA PHARMACEUTICALS, LLC (US) | 2014-09-18 | — | — | WO | disclosed |