⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9500957 | 1.00 | — | — | |
| SCHEMBL12317207 | 0.77 | — | — | |
| SCHEMBL171884 | 0.76 | — | — | |
| SCHEMBL21998700 | 0.76 | — | — | |
| SCHEMBL25468391 | 0.75 | — | — | |
| SCHEMBL156661 | 0.75 | HSD17B10 (0.35) | — | |
| SCHEMBL19993206 | 0.75 | — | — | |
| SCHEMBL156658 | 0.75 | HSD17B10 (0.35) | — | |
| SCHEMBL1237454 | 0.75 | HSD17B10 (0.35) | — | |
| SCHEMBL156660 | 0.73 | TDP1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0370563-B1 | PREPARATION OF CONJUGATED DIENES | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1993-05-19 | — | — | EP | disclosed |
| US-4943670-A | Hydroisomerization | SHELL OIL COMPANY (US) | 1990-07-24 | — | — | US | disclosed |
| EP-0370563-A1 | Preparation of conjugated dienes | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1990-05-30 | — | — | EP | disclosed |