⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22561332 | 0.78 | — | — | |
| SCHEMBL22561405 | 0.69 | P2RX7 (0.40) | — | |
| SCHEMBL22561394 | 0.66 | NPC1 (0.37) | — | |
| SCHEMBL22561401 | 0.65 | GLS (0.30) | — | |
| SCHEMBL18912653 | 0.64 | TTR (0.36) | — | |
| SCHEMBL24642806 | 0.62 | HSP90AB1 (0.30) | — | |
| SCHEMBL22561301 | 0.62 | — | — | |
| SCHEMBL22561341 | 0.62 | — | — | |
| SCHEMBL24642359 | 0.62 | KDR (0.31) | — | |
| SCHEMBL21137837 | 0.61 | MEN1 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3725798-A1 | BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF | Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) | 2020-10-21 | — | — | EP | disclosed |