⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8134289 | 0.90 | MMP1 (0.33) | — | |
| SCHEMBL6895346 | 0.84 | ALDH1A1 (0.39) | — | |
| SCHEMBL7348720 | 0.84 | — | — | |
| SCHEMBL408176 | 0.84 | TSHR (0.46) | — | |
| Hydrochloric Acid SCHEMBL440466 | 0.82 | TSHR (0.45) | — | |
| SCHEMBL14311259 | 0.82 | HTR2A (0.36) | — | |
| SCHEMBL10280213 | 0.80 | SUV39H2 (0.33) | — | |
| SCHEMBL2051129 | 0.79 | — | — | |
| SCHEMBL4207696 | 0.79 | MEN1 (0.33) | — | |
| SCHEMBL4195848 | 0.77 | CYP3A4 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2435416-B1 | TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS | MERCK SHARP & DOHME (US) | 2016-03-30 | — | — | EP | 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 |