⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24488715 | 0.80 | ALDH1A1 (0.44) | — | |
| SCHEMBL19801506 | 0.76 | ATM (0.42) | — | |
| SCHEMBL7543555 | 0.76 | ATM (0.42) | — | |
| SCHEMBL14020601 | 0.75 | — | — | |
| SCHEMBL21613913 | 0.74 | ALDH5A1 (0.32) | — | |
| SCHEMBL28295477 | 0.68 | KCNH2 (0.33) | — | |
| SCHEMBL28293675 | 0.68 | KCNH2 (0.33) | — | |
| SCHEMBL3929544 | 0.67 | ATM (0.41) | — | |
| SCHEMBL3929546 | 0.67 | ATM (0.41) | — | |
| SCHEMBL18560055 | 0.66 | SMN1; SMN2 (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 |
|---|---|---|---|---|---|---|---|
| WO-2020063821-A1 | POLYPEPTIDE CONJUGATE OF ODN OR DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 北京和理咨询有限公司 | 2020-04-02 | — | — | WO | disclosed |