⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13034547 | 1.00 | — | — | |
| SCHEMBL12986026 | 1.00 | — | — | |
| SCHEMBL12985626 | 1.00 | — | — | |
| SCHEMBL6895940 | 1.00 | — | — | |
| SCHEMBL15107892 | 1.00 | — | — | |
| SCHEMBL15494234 | 1.00 | — | — | |
| SCHEMBL18732735 | 0.75 | — | — | |
| SCHEMBL24011525 | 0.72 | — | — | |
| SCHEMBL12989525 | 0.71 | GRM5 (0.30) | — | |
| SCHEMBL6891165 | 0.71 | GRM5 (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017059965-A1 | PYRAZOLYL SUBSTITUTED TETRAHYDROPYRANYLSULFONES | Grünenthal GmbH (DE) | 2017-04-13 | — | — | WO | disclosed |
| US-8664411-B2 | Tetrahydropyranochromene gamma secretase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-03-04 | — | — | US | disclosed |
| US-20110236400-A1 | TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS | SCHERING CORPORATION | 2011-09-29 | — | — | US | disclosed |
| US-20110054013-A1 | TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2011-03-03 | — | — | US | disclosed |