⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21561681 | 0.62 | CA12 (0.54) | — | |
| SCHEMBL20204913 | 0.62 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL21561651 | 0.58 | PDK1 (0.48) | — | |
| SCHEMBL21561662 | 0.58 | PDK1 (0.48) | — | |
| SCHEMBL21561685 | 0.58 | TDP1 (0.52) | — | |
| SCHEMBL20204916 | 0.54 | CA12 (0.32) | — | |
| SCHEMBL12076093 | 0.54 | CHRM2 (0.32) | — | |
| SCHEMBL22753531 | 0.52 | TET3 (0.38) | — | |
| SCHEMBL22833078 | 0.49 | KMT2A (0.36) | — | |
| SCHEMBL1803797 | 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-2018098473-A1 | REAGENTS AND METHODS FOR ANALYSIS OF PROTEINS AND METABOLITES TARGETED BY COVALENT PROBES | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2018-05-31 | — | — | WO | disclosed |