⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8835185 | 1.00 | — | — | |
| SCHEMBL3760701 | 0.71 | — | — | |
| SCHEMBL3760697 | 0.71 | — | — | |
| SCHEMBL6669413 | 0.70 | TP53 (0.42) | — | |
| SCHEMBL14438691 | 0.69 | — | — | |
| SCHEMBL4449428 | 0.67 | — | — | |
| Benzene SCHEMBL27686543 | 0.67 | TRPA1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL27460028 | 0.65 | — | — | |
| SCHEMBL7943358 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL27501540 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006076020-A2 | FUEL COMPOSITIONS AND METHODS THEREOF | FERNANDES JOSEPH B (US) | 2006-07-20 | — | — | WO | disclosed |
| US-5609653-A | ANTIKNOCK | ELF ANTAR FRANCE (FR) | 1997-03-11 | — | — | US | disclosed |
| EP-0694601-A1 | Fuel composition containing at least one fulvene derivate and its application | ELF ANTAR FRANCE (FR) | 1996-01-31 | — | — | EP | disclosed |