⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6518394 | 0.82 | — | — | |
| SCHEMBL606847 | 0.69 | — | — | |
| SCHEMBL7863959 | 0.69 | DNM1 (0.38) | — | |
| SCHEMBL11342005 | 0.67 | CYP3A4 (0.35) | — | |
| SCHEMBL10665152 | 0.67 | — | — | |
| SCHEMBL584300 | 0.59 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL11766416 | 0.59 | — | — | |
| SCHEMBL8362725 | 0.59 | — | — | |
| SCHEMBL8625620 | 0.57 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL2146567 | 0.57 | TSHR (0.36) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2054411-B1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORP (KR) | 2014-08-20 | — | — | EP | claimed |
| US-7858621-B2 | Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same | AMOREPACIFIC CORPORATION (KR) | 2010-12-28 | — | — | US | claimed |
| EP-2054411-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | Amorepacific Corporation (KR) | 2009-05-06 | — | — | EP | claimed |
| US-20080312234-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORPORATION (KR) | 2008-12-18 | — | — | US | claimed |
| WO-2008013414-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORPORATION (KR) | 2008-01-31 | — | — | WO | claimed |
| EP-0025489-A1 | Vinylogous carboxamides, medicaments containing them and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1981-03-25 | — | — | EP | claimed |
| US-20170240544-A1 | ISOQUINOLINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER | PIERRE FABRE MEDICAMENT (FR) | 2017-08-24 | — | — | US | disclosed |
| EP-3189051-A1 | ISOQUINOLINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER | Pierre Fabre Médicament (FR) | 2017-07-12 | — | — | EP | disclosed |
| WO-2016034642-A1 | ISOQUINOLINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER | PIERRE FABRE MEDICAMENT (FR) | 2016-03-10 | — | — | WO | disclosed |
| EP-2054411-B1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORP (KR) | 2014-08-20 | — | — | EP | disclosed |
| US-7858621-B2 | Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same | AMOREPACIFIC CORPORATION (KR) | 2010-12-28 | — | — | US | disclosed |
| EP-2054411-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | Amorepacific Corporation (KR) | 2009-05-06 | — | — | EP | disclosed |
| US-20080312234-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORPORATION (KR) | 2008-12-18 | — | — | US | disclosed |
| WO-2008013414-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORPORATION (KR) | 2008-01-31 | — | — | WO | disclosed |
| EP-0685489-A2 | Tripeptide antithrombotic agents | ELI LILLY AND COMPANY (US) | 1995-12-06 | — | — | EP | disclosed |
| US-3985757-A | ANTIINFLAMMATORY AGENTS AND TRANQUILIZERS | E. R. SQUIBB & SONS, INC. (US) | 1976-10-12 | — | — | US | disclosed |