⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5077494 | 0.79 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL3239853 | 0.78 | IDO1 (0.35) | — | |
| SCHEMBL7994444 | 0.77 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL7994447 | 0.77 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL4744556 | 0.76 | KMT2A (0.33) | — | |
| SCHEMBL20471431 | 0.76 | — | — | |
| SCHEMBL8125749 | 0.75 | KMT2A (0.33) | — | |
| SCHEMBL466743 | 0.75 | TAAR1 (0.34) | — | |
| SCHEMBL27306964 | 0.75 | KDM1A (0.31) | — | |
| SCHEMBL27610746 | 0.75 | SMN1; SMN2 (0.34) | — |
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 |