⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1736515 | 0.72 | — | — | |
| SCHEMBL3068901 | 0.67 | — | — | |
| SCHEMBL11358219 | 0.64 | — | — | |
| SCHEMBL11178218 | 0.60 | — | — | |
| SCHEMBL7493936 | 0.54 | — | — | |
| SCHEMBL16283404 | 0.53 | NPSR1 (0.32) | — | |
| SCHEMBL1976567 | 0.51 | — | — | |
| SCHEMBL18994701 | 0.47 | — | — | |
| SCHEMBL9527745 | 0.46 | — | — | |
| SCHEMBL23007791 | 0.44 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9018175-B2 | 3,4,4a,10b-Tetrahydro-1H-thiopyrano-[44,3-c] isoquinoline derivatives | TAKEDA GMBH (DE) | 2015-04-28 | — | — | US | claimed |
| EP-2513119-B1 | 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4,3-C]ISOQUINOLINE DERIVATIVES | TAKEDA GMBH (DE) | 2014-06-25 | — | — | EP | claimed |
| US-20120289474-A1 | 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4,3-c] ISOQUINOLINE DERIVATIVES | NYCOMED GMBH (DE) | 2012-11-15 | — | — | US | claimed |
| EP-2513119-A1 | 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4, 3-c]ISOQUINOLINE DERIVATIVES | Nycomed GmbH (DE) | 2012-10-24 | — | — | EP | claimed |
| WO-2011073231-A1 | 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4, 3-c] ISOQUINOLINE DERIVATIVES | NYCOMED GMBH (DE) | 2011-06-23 | — | — | WO | claimed |
| US-9018175-B2 | 3,4,4a,10b-Tetrahydro-1H-thiopyrano-[44,3-c] isoquinoline derivatives | TAKEDA GMBH (DE) | 2015-04-28 | — | — | US | disclosed |
| EP-2813509-A1 | 3,4,4a,10b-tetrahydro-1h-thiopyrano-[4,3-c]isoquinoline derivatives | Takeda GmbH (DE) | 2014-12-17 | — | — | EP | disclosed |
| EP-2513119-B1 | 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4,3-C]ISOQUINOLINE DERIVATIVES | TAKEDA GMBH (DE) | 2014-06-25 | — | — | EP | disclosed |
| US-20120289474-A1 | 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4,3-c] ISOQUINOLINE DERIVATIVES | NYCOMED GMBH (DE) | 2012-11-15 | — | — | US | disclosed |
| EP-2513119-A1 | 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4, 3-c]ISOQUINOLINE DERIVATIVES | Nycomed GmbH (DE) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011073231-A1 | 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4, 3-c] ISOQUINOLINE DERIVATIVES | NYCOMED GMBH (DE) | 2011-06-23 | — | — | WO | disclosed |