⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23894076 | 0.87 | ALDH1A1 (0.33) | — | |
| SCHEMBL23894170 | 0.76 | CYP2D6 (0.37) | — | |
| SCHEMBL23901176 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL20160128 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL23894075 | 0.69 | CYP2D6 (0.34) | — | |
| SCHEMBL1891295 | 0.67 | EPHX2 (0.40) | — | |
| SCHEMBL23879339 | 0.65 | PRMT1 (0.36) | — | |
| SCHEMBL23894077 | 0.65 | KDM4C (0.49) | — | |
| SCHEMBL23893966 | 0.65 | ALDH1A1 (0.36) | — | |
| Succinic Acid SCHEMBL28876312 | 0.62 | HIF1A (0.62) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210308277-A1 | CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LINKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS | HANGZHOU DAC BIOTECH CO., LTD. (CN) | 2021-10-07 | — | — | US | disclosed |