⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL35226 | 1.00 | — | — | |
| SCHEMBL7024646 | 1.00 | — | — | |
| Fluoride SCHEMBL21986315 | 0.96 | LMNA (0.57) | — | |
| SCHEMBL3821175 | 0.96 | — | — | |
| SCHEMBL2972168 | 0.96 | — | — | |
| Hydrazine SCHEMBL17259295 | 0.90 | LMNA (0.50) | — | |
| SCHEMBL7929388 | 0.90 | NPC1 (0.60) | — | |
| SCHEMBL21617684 | 0.90 | LMNA (0.50) | — | |
| Boric Acid SCHEMBL2461186 | 0.87 | ORAI1 (0.50) | — | |
| SCHEMBL28682658 | 0.87 | LMNA (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014002109-A1 | SUBSTITUTED TETRAZOLE COMPOUNDS AND PROCESS THEREOF | RALLIS INDIA LIMITED (IN) | 2014-01-03 | — | — | WO | claimed |
| EP-1651595-A2 | UBIQUITIN LIGASE INHIBITORS | Rigel Pharmaceuticals, Inc. (US) | 2006-05-03 | — | — | EP | claimed |
| WO-2005007621-A2 | UBIQUITIN LIGASE INHIBITORS | RIGEL PHARMACEUTICALS, INC. (US) | 2005-01-27 | — | — | WO | claimed |
| WO-2014002109-A1 | SUBSTITUTED TETRAZOLE COMPOUNDS AND PROCESS THEREOF | RALLIS INDIA LIMITED (IN) | 2014-01-03 | — | — | WO | disclosed |
| EP-1651595-A2 | UBIQUITIN LIGASE INHIBITORS | Rigel Pharmaceuticals, Inc. (US) | 2006-05-03 | — | — | EP | disclosed |
| WO-2005007621-A2 | UBIQUITIN LIGASE INHIBITORS | RIGEL PHARMACEUTICALS, INC. (US) | 2005-01-27 | — | — | WO | disclosed |
| EP-0772601-A1 | 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1997-05-14 | — | — | EP | disclosed |
| US-4309181-A | α-Hydrazono α-phenyl acetonitriles, their preparation and their application as dispersed dyestuffs for the coloration of artificial or synthetic materials | PRODUITS CHIMIQUES UGINE KUHLMANN (FR) | 1982-01-05 | — | — | US | disclosed |