⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12274678 | 0.79 | — | — | |
| SCHEMBL22942062 | 0.74 | KDM4E (0.32) | — | |
| SCHEMBL14196584 | 0.71 | DRD1 (0.36) | — | |
| SCHEMBL6297223 | 0.67 | — | — | |
| SCHEMBL8521408 | 0.60 | TRPA1 (0.33) | — | |
| SCHEMBL826097 | 0.59 | — | — | |
| SCHEMBL10049311 | 0.57 | — | — | |
| SCHEMBL14327682 | 0.50 | TRPA1 (0.31) | — | |
| SCHEMBL21829068 | 0.50 | — | — | |
| SCHEMBL164231 | 0.48 | — | — |
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-20160159777-A1 | CROSSLINKING REAGENTS, METHODS, AND COMPOSITIONS FOR STUDYING PROTEIN-PROTEIN INTERACTIONS | CELLMOSAIC INC (US) | 2016-06-09 | — | — | US | disclosed |