⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23901175 | 0.72 | TDP1 (0.32) | — | |
| SCHEMBL23451333 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL16166221 | 0.67 | — | — | |
| SCHEMBL23894170 | 0.65 | CYP2D6 (0.37) | — | |
| SCHEMBL14910982 | 0.65 | — | — | |
| SCHEMBL9357378 | 0.64 | TSHR (0.35) | — | |
| SCHEMBL23901176 | 0.63 | ALDH1A1 (0.34) | — | |
| SCHEMBL701119 | 0.62 | — | — | |
| SCHEMBL9369766 | 0.61 | — | — | |
| SCHEMBL17666029 | 0.60 | TDP1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3888691-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) | 2021-10-06 | — | — | EP | disclosed |