⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11217347 | 1.00 | — | — | |
| SCHEMBL18911633 | 0.85 | KMT2A (0.50) | — | |
| SCHEMBL10933567 | 0.83 | KMT2A (0.33) | — | |
| SCHEMBL10933565 | 0.83 | KMT2A (0.33) | — | |
| SCHEMBL1906471 | 0.82 | HSD17B10 (0.32) | — | |
| SCHEMBL83558 | 0.79 | — | — | |
| SCHEMBL15726647 | 0.77 | — | — | |
| SCHEMBL16033016 | 0.77 | — | — | |
| SCHEMBL16033013 | 0.77 | — | — | |
| SCHEMBL8629031 | 0.75 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0073532-A1 | Process for the preparation of 2,6-Dimethyl-1,5-Heptadiene and/or 2,6,10-Trimethyl-1,5,9-Undecatriene | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1983-03-09 | — | — | EP | disclosed |