⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5212947 | 0.71 | — | — | |
| SCHEMBL5217556 | 0.67 | — | — | |
| SCHEMBL20188958 | 0.67 | TP53 (0.47) | — | |
| SCHEMBL20188956 | 0.67 | TP53 (0.47) | — | |
| SCHEMBL20189091 | 0.67 | TP53 (0.47) | — | |
| SCHEMBL27857861 | 0.67 | EPHX1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL22553487 | 0.65 | CA2 (0.32) | — | |
| SCHEMBL8469204 | 0.65 | — | — | |
| SCHEMBL28271611 | 0.62 | CA2 (0.31) | — | |
| SCHEMBL7248422 | 0.61 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1127492-C | Antirheumatic | SHIONOJI & CO LTD (JP) | 2003-11-12 | — | — | CN | disclosed |
| CN-1283194-A | Antirheumatic | SHIONOJI & CO LTD (JP) | 2001-02-07 | — | — | CN | disclosed |
| CN-1035614-C | Benzylidene derivatives | SHIONOGI & CO (JP) | 1997-08-13 | — | — | CN | disclosed |
| CN-1092414-A | Benzylidene derivatives | SHIONOGI & CO (JP) | 1994-09-21 | — | — | CN | disclosed |