⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14999451 | 1.00 | — | — | |
| SCHEMBL13472022 | 0.73 | — | — | |
| SCHEMBL21397783 | 0.71 | — | — | |
| SCHEMBL12562455 | 0.69 | — | — | |
| SCHEMBL24087432 | 0.67 | — | — | |
| SCHEMBL20311345 | 0.67 | — | — | |
| SCHEMBL22199592 | 0.67 | — | — | |
| SCHEMBL20079166 | 0.64 | — | — | |
| SCHEMBL21324579 | 0.63 | ALDH1A1 (0.30) | — | |
| SCHEMBL12562481 | 0.63 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200069814-A1 | CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE | HANGZHOU DAC BIOTECH CO., LTD. (CN) | 2020-03-05 | — | — | US | disclosed |
| EP-2616513-B1 | CATALYSTS AND METHODS FOR POLYMER SYNTHESIS | SAUDI ARAMCO TECH CO (SA) | 2019-11-06 | — | — | EP | disclosed |