⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3958675 | 0.74 | KDM4C (0.43) | — | |
| SCHEMBL21621367 | 0.74 | PDK2 (0.42) | — | |
| SCHEMBL211857 | 0.73 | LDHA (0.38) | — | |
| SCHEMBL6404716 | 0.73 | — | — | |
| SCHEMBL24310439 | 0.71 | — | — | |
| SCHEMBL10063339 | 0.71 | — | — | |
| SCHEMBL23939813 | 0.71 | — | — | |
| Water SCHEMBL6474736 | 0.71 | LDHA (0.37) | — | |
| SCHEMBL15387569 | 0.71 | — | — | |
| SCHEMBL23774991 | 0.70 | CAMK2A (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210323960-A1 | FUSED TRI-CYCLIC COMPOUND AS PDE3/PDE4 DUAL INHIBITOR | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) | 2021-10-21 | — | — | US | disclosed |