⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20610839 | 0.75 | — | — | |
| SCHEMBL29253226 | 0.75 | — | — | |
| SCHEMBL29300332 | 0.72 | — | — | |
| SCHEMBL17625036 | 0.69 | TP53 (0.33) | — | |
| SCHEMBL8345520 | 0.67 | CA1 (0.32) | — | |
| SCHEMBL438244 | 0.65 | — | — | |
| Bromide SCHEMBL11334148 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL29255907 | 0.62 | — | — | |
| SCHEMBL14306325 | 0.62 | — | — | |
| Trimethylammonium SCHEMBL4940092 | 0.62 | MEN1 (0.38) | — |
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 |