⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22872710 | 0.75 | — | — | |
| SCHEMBL3071346 | 0.73 | — | — | |
| SCHEMBL404105 | 0.73 | — | — | |
| SCHEMBL8008558 | 0.73 | — | — | |
| SCHEMBL17133118 | 0.72 | — | — | |
| SCHEMBL24725740 | 0.71 | — | — | |
| SCHEMBL3984904 | 0.71 | — | — | |
| SCHEMBL16814812 | 0.71 | — | — | |
| SCHEMBL15094372 | 0.71 | — | — | |
| SCHEMBL6686267 | 0.70 | ALDH1A1 (0.45) | — |
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-2018089261-A2 | COMPOUNDS AND METHODS FOR MODULATING INTERLEUKIN-2-INDUCIBLE T-CELL KINASE | CORVUS PHARMACEUTICALS, INC. (US) | 2018-05-17 | — | — | WO | disclosed |