⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18722219 | 0.82 | RIPK1 (0.35) | — | |
| SCHEMBL14691530 | 0.78 | — | — | |
| SCHEMBL9302609 | 0.78 | — | — | |
| SCHEMBL11749075 | 0.75 | RIPK1 (0.30) | — | |
| SCHEMBL134615 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL4201835 | 0.73 | — | — | |
| SCHEMBL17726978 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL8680521 | 0.73 | LMNA (0.43) | — | |
| SCHEMBL21925322 | 0.73 | MEN1 (0.31) | — | |
| SCHEMBL17581543 | 0.70 | — | — |
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-7229481-B2 | Diesel fuel compositions | SHELL OIL COMPANY (US) | 2007-06-12 | — | — | US | disclosed |
| EP-1581605-A1 | DIESEL FUEL COMPOSITIONS | Shell Internationale Research Maatschappij B.V. (NL) | 2005-10-05 | — | — | EP | disclosed |
| US-20040194367-A1 | Diesel fuel compositions | SHELL OIL COMPANY | 2004-10-07 | — | — | US | disclosed |
| WO-2004044107-A1 | DIESEL FUEL COMPOSITIONS | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2004-05-27 | — | — | WO | disclosed |