⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6057084 | 0.76 | — | — | |
| SCHEMBL12434599 | 0.73 | — | — | |
| SCHEMBL10187693 | 0.70 | — | — | |
| SCHEMBL6973666 | 0.70 | — | — | |
| SCHEMBL23996824 | 0.70 | — | — | |
| SCHEMBL18338953 | 0.68 | — | — | |
| SCHEMBL27532890 | 0.65 | — | — | |
| SCHEMBL6941994 | 0.63 | — | — | |
| SCHEMBL7672659 | 0.63 | — | — | |
| SCHEMBL11033412 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8679319-B2 | Hydrocarbon composition | SHELL OIL COMPANY (US) | 2014-03-25 | — | — | US | disclosed |
| US-20110178346-A1 | HYDROCARBON COMPOSITION | SHELL OIL COMPANY | 2011-07-21 | — | — | US | disclosed |