⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1809188 | 0.82 | — | — | |
| SCHEMBL7029103 | 0.73 | — | — | |
| SCHEMBL1244329 | 0.73 | — | — | |
| SCHEMBL4051693 | 0.71 | NOS2 (0.38) | — | |
| SCHEMBL1812282 | 0.69 | — | — | |
| SCHEMBL4273309 | 0.69 | KCNH2 (0.52) | — | |
| SCHEMBL6543577 | 0.68 | ESR1 (0.46) | — | |
| SCHEMBL17103650 | 0.68 | — | — | |
| SCHEMBL791760 | 0.68 | — | — | |
| SCHEMBL7588160 | 0.68 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3083586-A1 | NOVEL CARBOXAMIDES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND USE THEREOF FOR PRODUCING MEDICAMENTS | Bayer Pharma Aktiengesellschaft (DE) | 2016-10-26 | — | — | EP | disclosed |
| WO-2015091426-A1 | NOVEL CARBOXAMIDES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND USE THEREOF FOR PRODUCING MEDICAMENTS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2015-06-25 | — | — | WO | disclosed |
| EP-1866300-A1 | ARYLSULFONYL BENZOFUSED HETEROCYCLES AS 5-HT2A ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2007-12-19 | — | — | EP | disclosed |
| EP-1824817-A1 | ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2007-08-29 | — | — | EP | disclosed |
| WO-2006100519-A1 | ARYLSULFONYL BENZOFUSED HETEROCYCLES AS 5-HT2A ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 2006-09-28 | — | — | WO | disclosed |
| WO-2006059149-A1 | ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 2006-06-08 | — | — | WO | disclosed |
| WO-1993007146-A1 | BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY | SYNTEX (U.S.A.) INC. (US) | 1993-04-15 | — | — | WO | disclosed |