⚠ 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 | |
|---|---|---|---|---|
| Butadiene SCHEMBL21382085 | 0.80 | — | — | |
| Propene SCHEMBL28526944 | 0.78 | — | — | |
| Butadiene SCHEMBL628137 | 0.76 | — | — | |
| Butadiene SCHEMBL11854764 | 0.74 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL11480793 | 0.74 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL10457929 | 0.74 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL461643 | 0.74 | — | — | |
| Butadiene SCHEMBL250 | 0.74 | — | — | |
| SCHEMBL28749558 | 0.74 | — | — | |
| Butadiene SCHEMBL1241870 | 0.71 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8217137-B2 | Fullerene-based amino acids | WILLIAM MARSH RICE UNIVERSITY (US) | 2012-07-10 | — | — | US | disclosed |
| US-20090197315-A1 | FULLERENE-BASED AMINO ACIDS | WILLIAM MARSH RICE UNIVERSITY (US) | 2009-08-06 | — | — | US | disclosed |
| EP-1713723-A2 | FULLERENE BASED AMINO ACIDS | William Marsh Rice University (US) | 2006-10-25 | — | — | EP | disclosed |
| WO-2005070827-A2 | FULLERENE BASED AMINO ACIDS | WILLIAM MARSH RICE UNIVERSITY (US) | 2005-08-04 | — | — | WO | disclosed |
| EP-1115749-B1 | A PROCESS FOR MAKING FUNCTIONALIZED POLYMERS | KRATON POLYMERS RES BV (NL) | 2003-12-10 | — | — | EP | disclosed |
| EP-1115749-A1 | A PROCESS FOR MAKING FUNCTIONALIZED POLYMERS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 2001-07-18 | — | — | EP | disclosed |
| WO-2000014121-A1 | A PROCESS FOR MAKING FUNCTIONALIZED POLYMERS | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2000-03-16 | — | — | WO | disclosed |