⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22561366 | 0.95 | — | — | |
| SCHEMBL22561299 | 0.78 | — | — | |
| SCHEMBL22561332 | 0.75 | — | — | |
| SCHEMBL27409296 | 0.72 | — | — | |
| SCHEMBL25046493 | 0.72 | HDAC3 (0.34) | — | |
| SCHEMBL22561401 | 0.72 | GLS (0.30) | — | |
| SCHEMBL22561301 | 0.69 | — | — | |
| SCHEMBL22618790 | 0.69 | FOLH1 (0.30) | — | |
| SCHEMBL26762626 | 0.68 | — | — | |
| SCHEMBL22561476 | 0.68 | FOLH1 (0.34) | — |
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 |