⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2687378 | 0.79 | NOS3 (0.31) | — | |
| SCHEMBL945687 | 0.75 | — | — | |
| SCHEMBL2688325 | 0.74 | CA1 (0.37) | — | |
| SCHEMBL21535923 | 0.74 | CA1 (0.32) | — | |
| SCHEMBL14140120 | 0.69 | CA1 (0.32) | — | |
| SCHEMBL12554687 | 0.69 | — | — | |
| SCHEMBL11342555 | 0.68 | TSHR (0.32) | — | |
| SCHEMBL26936698 | 0.67 | CA1 (0.30) | — | |
| SCHEMBL2688983 | 0.64 | — | — | |
| SCHEMBL3823866 | 0.63 | HIF1A (0.31) | — |
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-8168842-B2 | Process for the alkylation of a cycloalkene | SHELL OIL COMPANY (US) | 2012-05-01 | — | — | US | disclosed |
| US-20090227824-A1 | PROCESS FOR THE ALKYLATION OF A CYCLOALKENE | SHELL OIL COMPANY | 2009-09-10 | — | — | US | disclosed |
| CN-101448765-A | Process for the alkylation of a cycloalkene | SHELL INT RESEARCH (NL) | 2009-06-03 | — | — | CN | disclosed |
| WO-2007135047-A1 | PROCESS FOR THE ALKYLATION OF A CYCLOALKENE | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2007-11-29 | — | — | WO | disclosed |