⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19051708 | 0.84 | FGF1 (0.30) | — | |
| SCHEMBL19051707 | 0.82 | FGF1 (0.32) | — | |
| SCHEMBL19052090 | 0.72 | — | — | |
| SCHEMBL12416160 | 0.70 | — | — | |
| SCHEMBL19760424 | 0.70 | — | — | |
| SCHEMBL19051013 | 0.70 | — | — | |
| SCHEMBL19078924 | 0.70 | — | — | |
| SCHEMBL24814865 | 0.69 | FBP1 (0.36) | — | |
| SCHEMBL17123274 | 0.68 | — | — | |
| SCHEMBL13020671 | 0.67 | FBP1 (0.43) | — |
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-20170183655-A1 | COMPOSITIONS AND USES FOR TREATMENT THEREOF | BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE | 2017-06-29 | — | — | US | disclosed |