⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1116246 | 1.00 | — | — | |
| SCHEMBL2042489 | 0.77 | — | — | |
| SCHEMBL10220858 | 0.75 | ATM (0.31) | — | |
| SCHEMBL19599783 | 0.73 | — | — | |
| SCHEMBL10211114 | 0.70 | — | — | |
| SCHEMBL22527313 | 0.70 | CYP2D6 (0.38) | — | |
| SCHEMBL16903423 | 0.70 | CYP2D6 (0.38) | — | |
| SCHEMBL21960705 | 0.69 | KDM4E (0.32) | — | |
| SCHEMBL15062331 | 0.67 | CYP2D6 (0.30) | — | |
| SCHEMBL34967 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10981860-B2 | Caspase inhibitor and pharmaceutical composition, use and therapeutic method thereof | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) | 2021-04-20 | — | — | US | disclosed |
| US-20190135733-A1 | CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) | 2019-05-09 | — | — | US | disclosed |