⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22561435 | 0.77 | — | — | |
| SCHEMBL22618731 | 0.70 | FOLH1 (0.39) | — | |
| SCHEMBL21781887 | 0.70 | — | — | |
| SCHEMBL22561364 | 0.70 | KDM1A (0.39) | — | |
| SCHEMBL22561398 | 0.64 | ITGB1 (0.33) | — | |
| SCHEMBL21781778 | 0.64 | KLKB1 (0.40) | — | |
| SCHEMBL21781982 | 0.64 | AKT1 (0.31) | — | |
| SCHEMBL21302056 | 0.62 | ACE (0.33) | — | |
| SCHEMBL26111048 | 0.62 | NMT2 (0.37) | — | |
| SCHEMBL26111054 | 0.62 | NMT2 (0.37) | — |
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 |