⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16070872 | 1.00 | — | — | |
| SCHEMBL246550 | 1.00 | — | — | |
| SCHEMBL16070873 | 1.00 | — | — | |
| SCHEMBL245055 | 1.00 | — | — | |
| SCHEMBL16163346 | 0.93 | — | — | |
| SCHEMBL16174325 | 0.82 | — | — | |
| SCHEMBL246366 | 0.82 | — | — | |
| SCHEMBL246081 | 0.82 | — | — | |
| SCHEMBL244709 | 0.82 | — | — | |
| SCHEMBL16163436 | 0.81 | — | — |
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-20120004428-A1 | 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) | 2012-01-05 | — | — | US | claimed |