⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12251650 | 0.78 | — | — | |
| SCHEMBL19059403 | 0.76 | — | — | |
| SCHEMBL20152093 | 0.74 | — | — | |
| SCHEMBL18791387 | 0.73 | — | — | |
| SCHEMBL19102831 | 0.73 | — | — | |
| SCHEMBL18994838 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL7719676 | 0.71 | CD81 (0.31) | — | |
| SCHEMBL14125625 | 0.68 | — | — | |
| SCHEMBL11692034 | 0.66 | — | — | |
| SCHEMBL11757553 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2076333-A2 | PROCESS FOR THE PRODUCTION OF A HYDROCARBON | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2009-07-08 | — | — | EP | claimed |
| WO-2008024896-A2 | PROCESS FOR THE PRODUCTION OF A HYDROCARBON | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2008-02-28 | — | — | WO | claimed |