⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24622092 | 0.70 | — | — | |
| SCHEMBL23938114 | 0.67 | GBA1 (0.32) | — | |
| SCHEMBL18387964 | 0.62 | HTR2C (0.31) | — | |
| SCHEMBL22047129 | 0.62 | — | — | |
| SCHEMBL14660311 | 0.60 | SCN8A (0.30) | — | |
| SCHEMBL14660312 | 0.60 | SCN8A (0.30) | — | |
| Hydrochloric Acid SCHEMBL14660322 | 0.59 | HTR2C (0.31) | — | |
| SCHEMBL24826125 | 0.59 | — | — | |
| SCHEMBL12589480 | 0.59 | CLK2 (0.33) | — | |
| SCHEMBL17665128 | 0.59 | CLK2 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020113077-A1 | COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2020-06-04 | — | — | WO | disclosed |