⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29713 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL5322603 | 0.90 | — | — | |
| SCHEMBL28135062 | 0.90 | — | — | |
| Benzene SCHEMBL27579560 | 0.82 | ALDH1A1 (0.43) | — | |
| SCHEMBL23121542 | 0.76 | — | — | |
| Nitric Acid SCHEMBL2810655 | 0.73 | CA5A (0.53) | — | |
| SCHEMBL27459442 | 0.71 | — | — | |
| SCHEMBL1163747 | 0.70 | — | — | |
| SCHEMBL27323783 | 0.70 | — | — | |
| SCHEMBL11052144 | 0.70 | — | — |
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-1569883-A1 | LINEAR AND BRANCHED OLEFIN PRODUCTION FROM CYCLIC OLEFIN FEEDSTOCKS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004052811-A1 | LINEAR AND BRANCHED OLEFIN PRODUCTION FROM CYCLIC OLEFIN FEEDSTOCKS | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2004-06-24 | — | — | WO | disclosed |