⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28759654 | 0.97 | — | — | |
| SCHEMBL1425631 | 0.97 | — | — | |
| SCHEMBL142415 | 0.81 | — | — | |
| SCHEMBL5322622 | 0.75 | — | — | |
| SCHEMBL8439518 | 0.75 | — | — | |
| SCHEMBL3274711 | 0.71 | — | — | |
| SCHEMBL8204346 | 0.71 | — | — | |
| SCHEMBL8942508 | 0.71 | — | — | |
| SCHEMBL21248062 | 0.71 | — | — | |
| SCHEMBL122540 | 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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0502439-B1 | Purification of 6-Aminocapronitrile | DU PONT (US) | 1994-09-14 | — | — | EP | claimed |
| US-4593142-A | Catalyst system containing hydrogen fluoride and a metal alkoxide | VISTA CHEMICAL COMPANY (US) | 1986-06-03 | — | — | US | claimed |
| US-7163963-B2 | Chemically and thermally stabilized alumina for Fischer-Tropsch catalysts | CONOCOPHILLIPS COMPANY (US) | 2007-01-16 | — | — | US | disclosed |
| WO-2005025731-A2 | CHEMICALLY AND THERMALLY STABILIZED ALUMINA FOR FISCHER-TROPSCH CATALYSTS | CONOCOPHILLIPS COMPANY (US) | 2005-03-24 | — | — | WO | disclosed |
| US-6867211-B2 | 4-Pyridyl-and 2,4-pyrimidinyl-substituted pyrrole derivatives and their use in pharmacy | MERCKLE GMBH (DE) | 2005-03-15 | — | — | US | disclosed |
| US-20050054738-A1 | comprising a support and at least one catalytically active metal wherein the support comprises a transition alumina and a surface coverage comprising a rare-earth oxide | CONOCOPHILLIPS COMPANY (US) | 2005-03-10 | — | — | US | disclosed |
| US-20030153558-A1 | 4-Pyridyl-and 2,4-pyrimidinyl-substituted pyrrole derivatives and their use in pharmacy | MERCKLE GMBH (DE) | 2003-08-14 | — | — | US | disclosed |
| EP-0521550-B1 | Vitamin D compound, method of preparing this compound and intermediate therefor | DUPHAR INT RES (NL) | 1996-09-18 | — | — | EP | disclosed |
| EP-0503630-B1 | Cyclohexanetriol derivatives | KURARAY CO (JP) | 1995-12-27 | — | — | EP | disclosed |
| US-5334740-A | Cyclohexanetriol derivatives | KURARY CO., LTD. (JP) | 1994-08-02 | — | — | US | disclosed |
| EP-0521550-A2 | Vitamin D compound, method of preparing this compound and intermediate therefor | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1993-01-07 | — | — | EP | disclosed |
| EP-0503630-A1 | Cyclohexanetriol derivatives | Kuraray Co., Ltd. (JP) | 1992-09-16 | — | — | EP | disclosed |