⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26212138 | 1.00 | — | — | |
| SCHEMBL1752303 | 0.87 | — | — | |
| SCHEMBL4528423 | 0.87 | — | — | |
| SCHEMBL6104190 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL2633093 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL21557633 | 0.78 | — | — | |
| SCHEMBL19733464 | 0.77 | FOLH1 (0.35) | — | |
| SCHEMBL1752305 | 0.77 | — | — | |
| SCHEMBL14355172 | 0.76 | — | — | |
| SCHEMBL20057028 | 0.75 | — | — |
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-2019114666-A1 | BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2019-06-20 | — | — | WO | disclosed |