⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3056144 | 0.81 | — | — | |
| SCHEMBL31605709 | 0.77 | — | — | |
| SCHEMBL18376145 | 0.74 | — | — | |
| SCHEMBL18377713 | 0.72 | DPP4 (0.31) | — | |
| SCHEMBL24908627 | 0.72 | — | — | |
| SCHEMBL20468005 | 0.72 | — | — | |
| SCHEMBL18377905 | 0.72 | DPP4 (0.31) | — | |
| SCHEMBL21538542 | 0.71 | ACHE (0.35) | — | |
| SCHEMBL20644610 | 0.69 | ACHE (0.30) | — | |
| SCHEMBL23652063 | 0.69 | LMNA (0.31) | — |
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 |