⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17267039 | 0.80 | LGALS8 (0.36) | — | |
| SCHEMBL24212703 | 0.80 | LGALS8 (0.36) | — | |
| SCHEMBL22828540 | 0.80 | LGALS8 (0.36) | — | |
| SCHEMBL21134683 | 0.80 | — | — | |
| SCHEMBL22828158 | 0.76 | TK1 (0.34) | — | |
| SCHEMBL15357448 | 0.76 | TK1 (0.34) | — | |
| SCHEMBL19200033 | 0.76 | — | — | |
| SCHEMBL24212765 | 0.76 | TK1 (0.34) | — | |
| SCHEMBL20131722 | 0.76 | TK1 (0.34) | — | |
| SCHEMBL22768522 | 0.74 | — | — |
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-20200061571-A1 | PROCESSING BIOMASS AND PETROLEUM CONTAINING MATERIALS | XYLECO, INC. | 2020-02-27 | — | — | US | disclosed |