⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16174304 | 0.88 | — | — | |
| SCHEMBL12320949 | 0.88 | — | — | |
| SCHEMBL14131611 | 0.79 | — | — | |
| SCHEMBL3368285 | 0.77 | — | — | |
| SCHEMBL16172336 | 0.74 | — | — | |
| SCHEMBL16163457 | 0.74 | — | — | |
| SCHEMBL246081 | 0.74 | — | — | |
| SCHEMBL246366 | 0.74 | — | — | |
| SCHEMBL244709 | 0.74 | — | — | |
| SCHEMBL16172384 | 0.73 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8841464-B2 | Tri-substituted 2-benzhydryl-5-benzylamino-tetrahydro-pyran-4-ol and 6-benzhydryl-4-benzylamino-tetrahydro-pyran-3-ol analogues, and novel 3,6-disubstituted pyran derivatives | WAYNE STATE UNIVERSITY (US) | 2014-09-23 | — | — | US | disclosed |