⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20049460 | 0.86 | PTGS2 (0.32) | — | |
| SCHEMBL29017105 | 0.72 | HSPA5 (0.35) | — | |
| SCHEMBL21765277 | 0.72 | GABRA1 (0.34) | — | |
| SCHEMBL12275314 | 0.72 | TAAR1 (0.37) | — | |
| SCHEMBL10257534 | 0.71 | LOXL2 (0.36) | — | |
| SCHEMBL23419971 | 0.69 | TAAR1 (0.41) | — | |
| SCHEMBL18882776 | 0.69 | DPP4 (0.38) | — | |
| SCHEMBL18886071 | 0.69 | HTT (0.36) | — | |
| SCHEMBL24603727 | 0.69 | — | — | |
| SCHEMBL14754081 | 0.69 | SLC6A2 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2313481-A2 | PRODUCTION PROCESS OF UNLEADED HIGH OCTANE NUMBER GASOLINE, AND SO OBTAINED GASOLINES | CHIMEC S.P.A. (IT) | 2011-04-27 | — | — | EP | claimed |
| WO-2010001341-A2 | PRODUCTION PROCESS OF UNLEADED HIGH OCTANE NUMBER GASOLINE, AND SO OBTAINED GASOLINES | CHIMEC S.P.A. (IT) | 2010-01-07 | — | — | WO | claimed |
| EP-2313481-A2 | PRODUCTION PROCESS OF UNLEADED HIGH OCTANE NUMBER GASOLINE, AND SO OBTAINED GASOLINES | CHIMEC S.P.A. (IT) | 2011-04-27 | — | — | EP | disclosed |
| WO-2010001341-A2 | PRODUCTION PROCESS OF UNLEADED HIGH OCTANE NUMBER GASOLINE, AND SO OBTAINED GASOLINES | CHIMEC S.P.A. (IT) | 2010-01-07 | — | — | WO | disclosed |