⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17664767 | 0.78 | ALDH1A1 (0.38) | — | |
| SCHEMBL17664799 | 0.76 | — | — | |
| SCHEMBL21166335 | 0.74 | — | — | |
| SCHEMBL27337009 | 0.74 | — | — | |
| SCHEMBL29307282 | 0.67 | — | — | |
| SCHEMBL25455133 | 0.66 | — | — | |
| SCHEMBL19185699 | 0.66 | — | — | |
| SCHEMBL28257256 | 0.66 | — | — | |
| SCHEMBL14933257 | 0.64 | — | — | |
| SCHEMBL29307225 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016050209-A1 | HETEROFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE, PREPARATION METHOD, AND BIO-RELATED SUBSTANCE | 厦门赛诺邦格生物科技有限公司 | 2016-04-07 | — | — | WO | disclosed |