⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19711897 | 0.87 | EPAS1 (0.34) | — | |
| SCHEMBL2912619 | 0.81 | — | — | |
| SCHEMBL25592688 | 0.81 | — | — | |
| SCHEMBL31154601 | 0.79 | EPAS1 (0.33) | — | |
| SCHEMBL8651417 | 0.79 | ALDH1A1 (0.41) | — | |
| SCHEMBL8581341 | 0.79 | ALDH1A1 (0.41) | — | |
| SCHEMBL6240345 | 0.79 | CA1 (0.48) | — | |
| SCHEMBL28577893 | 0.78 | ALDH1A1 (0.47) | — | |
| SCHEMBL20705934 | 0.78 | CA1 (0.37) | — | |
| SCHEMBL29769235 | 0.78 | EPAS1 (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 |
|---|---|---|---|---|---|---|---|
| US-10323199-B2 | Fuel supplement to reduce harmful emissions | SSR PHARMA PRIVATE LTD (IN) | 2019-06-18 | — | — | US | disclosed |
| US-20170107436-A1 | FUEL SUPPLEMENT TO REDUCE HARMFUL EMISSIONS | SSR Pharma Private Limited (IN) | 2017-04-20 | — | — | US | disclosed |
| EP-1951685-A1 | NOVEL QUINAZOLINE DERIVATIVES AND THEIR MEDICAL USE | NeuroSearch A/S (DK) | 2008-08-06 | — | — | EP | disclosed |
| WO-2007057447-A1 | NOVEL QUINAZOLINE DERIVATIVES AND THEIR MEDICAL USE | NEUROSEARCH A/S (DK) | 2007-05-24 | — | — | WO | disclosed |