⚠ 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 | |
|---|---|---|---|---|
| 1,2,4-Triazole SCHEMBL6008020 | 0.74 | — | — | |
| 1,2,4-Triazole SCHEMBL2141756 | 0.74 | — | — | |
| 1,2,4-Triazole SCHEMBL9772017 | 0.72 | ORAI1 (0.35) | — | |
| 1,2,4-Triazole SCHEMBL3120386 | 0.71 | — | — | |
| 1,2,4-Triazole SCHEMBL6278932 | 0.71 | — | — | |
| 1,2,4-Triazole SCHEMBL25331740 | 0.71 | — | — | |
| 1,2,4-Triazole SCHEMBL10937644 | 0.71 | — | — | |
| 1,2,4-Triazole SCHEMBL7119493 | 0.71 | — | — | |
| 1,2,4-Triazole SCHEMBL15656661 | 0.71 | — | — | |
| 1,2,4-Triazole SCHEMBL4561280 | 0.71 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1228109-B1 | SUPPORTED CATALYST COMPRISING EXPANDED ANIONS | DOW GLOBAL TECHNOLOGIES INC (US) | 2006-02-01 | — | — | EP | claimed |
| US-6716786-B1 | LEWIS ACIDS AND BASES | THE DOW CHEMICAL COMPANY | 2004-04-06 | — | — | US | claimed |
| EP-1228109-A1 | SUPPORTED CATALYST COMPRISING EXPANDED ANIONS | THE DOW CHEMICAL COMPANY (US) | 2002-08-07 | — | — | EP | claimed |
| WO-2001023442-A1 | SUPPORTED CATALYST COMPRISING EXPANDED ANIONS | THE DOW CHEMICAL COMPANY (US) | 2001-04-05 | — | — | WO | claimed |
| EP-1228109-B1 | SUPPORTED CATALYST COMPRISING EXPANDED ANIONS | DOW GLOBAL TECHNOLOGIES INC (US) | 2006-02-01 | — | — | EP | disclosed |
| US-6716786-B1 | LEWIS ACIDS AND BASES | THE DOW CHEMICAL COMPANY | 2004-04-06 | — | — | US | disclosed |
| EP-1228109-A1 | SUPPORTED CATALYST COMPRISING EXPANDED ANIONS | THE DOW CHEMICAL COMPANY (US) | 2002-08-07 | — | — | EP | disclosed |
| WO-2001023442-A1 | SUPPORTED CATALYST COMPRISING EXPANDED ANIONS | THE DOW CHEMICAL COMPANY (US) | 2001-04-05 | — | — | WO | disclosed |