⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL442561 | 0.70 | — | — | |
| SCHEMBL23894134 | 0.68 | — | — | |
| SCHEMBL20159682 | 0.68 | TSHR (0.46) | — | |
| SCHEMBL9171624 | 0.66 | — | — | |
| SCHEMBL11519300 | 0.65 | — | — | |
| SCHEMBL18822535 | 0.65 | — | — | |
| SCHEMBL23894135 | 0.65 | GRIK1 (0.35) | — | |
| SCHEMBL16311352 | 0.65 | — | — | |
| SCHEMBL20160181 | 0.64 | — | — | |
| SCHEMBL20159725 | 0.62 | USP2 (0.40) | — |
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-2018086139-A1 | CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LIKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS | HANGZHOU DAC BIOTECH CO., LTD (CN) | 2018-05-17 | — | — | WO | disclosed |