⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7845424 | 0.98 | — | — | |
| SCHEMBL8444752 | 0.73 | MGAM (0.39) | — | |
| SCHEMBL28257446 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL28515626 | 0.67 | — | — | |
| SCHEMBL5034140 | 0.67 | — | — | |
| SCHEMBL28775454 | 0.67 | CA4 (0.45) | — | |
| SCHEMBL5950720 | 0.66 | — | — | |
| SCHEMBL5950718 | 0.66 | — | — | |
| SCHEMBL679523 | 0.66 | — | — | |
| SCHEMBL11211062 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1461402-B1 | METHOD AND COMPOSITION FOR IMPROVING FUEL COMBUSTION | CARROLL ASSOCIATES LLC (US) | 2009-05-27 | — | — | EP | claimed |
| US-6566457-B2 | Graft polymers | BASF AKTIENGESELLSCHAFT (DE) | 2003-05-20 | — | — | US | disclosed |
| US-20020004565-A1 | Novel impact modifiers prepared from (partially) hydrogenated butadiene-containing dispersions | BASF AKTIENGESELLSCHAFT (DE) | 2002-01-10 | — | — | US | disclosed |