⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28795918 | 0.92 | PRMT1 (0.55) | — | |
| SCHEMBL16595061 | 0.86 | — | — | |
| SCHEMBL29881785 | 0.86 | GRIN2B (0.54) | — | |
| SCHEMBL1885658 | 0.86 | GRIN2B (0.54) | — | |
| SCHEMBL2704999 | 0.85 | MAPT (0.47) | — | |
| SCHEMBL2704956 | 0.85 | SLC6A2 (0.57) | — | |
| SCHEMBL20143909 | 0.85 | — | — | |
| SCHEMBL2250515 | 0.83 | — | — | |
| SCHEMBL7567855 | 0.83 | DRD4 (0.54) | — | |
| SCHEMBL6862585 | 0.83 | GRIN2B (0.69) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1233961-B9 | METHOD FOR PRODUCING 5-(1-PIPERAZINYL)-BENZOFURAN-2-CARBOXAMIDE BY TRANSITION METAL-CATALYZED AMINATION | MERCK PATENT GMBH (DE) | 2012-03-21 | — | — | EP | disclosed |
| US-6762300-B2 | ONE POT; SUCH AS CYCLIZATION OF 5-BROMOSALICYLALDEHYDE WITH ETHYL BROMOACETATE AND REACTING WITH FORMAMIDE THEN WITH PIPERAZINE DERIVATIVE | MERCK PATENT GMBH (DE) | 2004-07-13 | — | — | US | disclosed |
| US-20030125558-A1 | Method for producing 5-(1-piperazinyl) -benzofuran-2-carboxamide by transition metal-catalyzed amination | MERCK PATENT GMBH (DE) | 2003-07-03 | — | — | US | disclosed |
| US-5977112-A | Process of making substituted benzofurans | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1999-11-02 | — | — | US | disclosed |
| US-5723614-A | Benzofurans | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-03-03 | — | — | US | disclosed |