⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7004114 | 0.77 | — | — | |
| SCHEMBL9069105 | 0.77 | — | — | |
| SCHEMBL9123527 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL9128227 | 0.76 | POLB (0.36) | — | |
| SCHEMBL9410508 | 0.74 | F2 (0.35) | — | |
| SCHEMBL15484371 | 0.71 | KDM4E (0.36) | — | |
| SCHEMBL11128539 | 0.71 | KMT2A (0.35) | — | |
| SCHEMBL20473961 | 0.70 | CHRNB2 (0.41) | — | |
| SCHEMBL6605266 | 0.70 | KDM4E (0.36) | — | |
| SCHEMBL13178177 | 0.68 | NOS1 (0.36) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101965350-A | Novel pyrazolo [3,4-d ] pyrimidine derivatives as anticancer agents | NATCO PHARMA LTD | 2011-02-02 | — | — | CN | claimed |
| US-20220177510-A1 | DERIVATIVES OF GYLCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE | SHANGHAI YAO YUAN BIOTECHNOLOGY CO LTD (CN) | 2022-06-09 | — | — | US | disclosed |
| US-20120077814-A1 | SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES | WANG ZHONG (US) | 2012-03-29 | — | — | US | disclosed |
| US-20120077814-A1 | SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES | WANG ZHONG (US) | 2012-03-29 | — | — | US | disclosed |
| US-20120077814-A1 | SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES | WANG ZHONG (US) | 2012-03-29 | — | — | US | disclosed |
| US-5358947-A | Treating hypertension, congestive heart failure | AMERICAN CYANAMID COMPANY (US) | 1994-10-25 | — | — | US | disclosed |