⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL861710 | 0.94 | ALDH1A1 (0.43) | — | |
| Methyl Alcohol SCHEMBL11303461 | 0.88 | ALDH1A1 (0.44) | — | |
| SCHEMBL3630260 | 0.82 | TAAR1 (0.43) | — | |
| SCHEMBL16239876 | 0.79 | TAAR1 (0.41) | — | |
| SCHEMBL11205303 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL7980410 | 0.78 | — | — | |
| SCHEMBL6159546 | 0.78 | — | — | |
| SCHEMBL7690640 | 0.78 | ALDH1A1 (0.45) | — | |
| SCHEMBL7766509 | 0.78 | ALOX15 (0.34) | — | |
| SCHEMBL176053 | 0.77 | — | — |
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 3 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 |
| WO-2007135047-A1 | PROCESS FOR THE ALKYLATION OF A CYCLOALKENE | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2007-11-29 | — | — | WO | disclosed |