⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11451789 | 0.96 | — | — | |
| SCHEMBL732372 | 0.93 | — | — | |
| SCHEMBL90785 | 0.74 | — | — | |
| SCHEMBL238147 | 0.67 | ALDH1A1 (0.46) | — | |
| SCHEMBL1981165 | 0.65 | — | — | |
| SCHEMBL1230286 | 0.61 | — | — | |
| SCHEMBL3274703 | 0.61 | — | — | |
| SCHEMBL8204349 | 0.61 | — | — | |
| SCHEMBL21712082 | 0.61 | — | — | |
| SCHEMBL8942501 | 0.61 | — | — |
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 5 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-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 |