⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3240699 | 0.89 | ATM (0.37) | — | |
| SCHEMBL28013728 | 0.87 | ATM (0.36) | — | |
| SCHEMBL3231768 | 0.84 | — | — | |
| SCHEMBL27648827 | 0.82 | — | — | |
| SCHEMBL3244513 | 0.77 | TSHR (0.34) | — | |
| SCHEMBL28014411 | 0.76 | TSHR (0.33) | — | |
| SCHEMBL3244610 | 0.75 | — | — | |
| SCHEMBL27669129 | 0.74 | — | — | |
| SCHEMBL3238865 | 0.72 | — | — | |
| SCHEMBL11090336 | 0.71 | NAAA (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7745649-B2 | Processes for preparing tetrahydropyran-4-one and pyran-4-one | UBE INDUSTRIES, LTD. (JP) | 2010-06-29 | — | — | US | disclosed |
| US-20070078272-A1 | Processes for preparing tetrahydropyran-4-one and pyran-4-one | UBE INDUSTRIES, LTD. (JP) | 2007-04-05 | — | — | US | disclosed |
| EP-1700853-A1 | PROCESSES FOR PRODUCING TETRAHYDROPYRAN-4-ONE AND PYRAN-4-ONE | Ube Industries, Ltd. (JP) | 2006-09-13 | — | — | EP | disclosed |