⚠ 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL8753122 | 0.89 | TP53 (0.32) | — | |
| SCHEMBL7300994 | 0.77 | — | — | |
| SCHEMBL4073698 | 0.76 | — | — | |
| SCHEMBL8211403 | 0.76 | — | — | |
| SCHEMBL5318401 | 0.76 | — | — | |
| SCHEMBL6901463 | 0.75 | ENPEP (0.33) | — | |
| SCHEMBL17366310 | 0.74 | — | — | |
| SCHEMBL9190897 | 0.74 | TSHR (0.50) | — | |
| SCHEMBL8863561 | 0.72 | — | — | |
| SCHEMBL2750068 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5610195-A | ANTITUMOR AGENTS | CIBA-GEIGY CORPORATION (US) | 1997-03-11 | — | — | US | claimed |
| US-20220228314-A1 | PRODUCTION METHOD FOR GARMENT, DYED CLOTH, AND CHEMICAL AGENT | SAAB Co. Ltd. (JP) | 2022-07-21 | — | — | US | disclosed |
| EP-3971341-A1 | PRODUCTION METHOD FOR GARMENT, DYED CLOTH, AND CHEMICAL AGENT | Yuken Chemical Co., Ltd. (JP) | 2022-03-23 | — | — | EP | disclosed |
| WO-2009097578-A1 | OXIM DERIVATIVES AS HSP90 INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-08-06 | — | — | WO | disclosed |