⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16172336 | 1.00 | — | — | |
| SCHEMBL16163405 | 0.87 | — | — | |
| SCHEMBL16163407 | 0.87 | — | — | |
| SCHEMBL16172335 | 0.87 | — | — | |
| SCHEMBL16163689 | 0.85 | — | — | |
| SCHEMBL16163420 | 0.85 | — | — | |
| SCHEMBL16172327 | 0.85 | — | — | |
| SCHEMBL16172334 | 0.85 | — | — | |
| SCHEMBL16163354 | 0.85 | — | — | |
| SCHEMBL245125 | 0.85 | — | — |
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-20170015645-A1 | SUBSTITUTED PYRAN DERIVATIVES | UNIV WAYNE STATE (US) | 2017-01-19 | — | — | US | disclosed |
| US-9458124-B2 | Substituted pyran derivatives | WAYNE STATE UNIVERSITY (US) | 2016-10-04 | — | — | US | disclosed |
| US-20140309427-A1 | Substituted Pyran Derivatives | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2014-10-16 | — | — | US | disclosed |