⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL611880 | 0.69 | — | — | |
| SCHEMBL6943857 | 0.69 | — | — | |
| SCHEMBL14225385 | 0.69 | — | — | |
| SCHEMBL4679755 | 0.67 | — | — | |
| SCHEMBL11856503 | 0.67 | TAS2R38 (0.39) | — | |
| SCHEMBL8393269 | 0.67 | — | — | |
| SCHEMBL608812 | 0.67 | — | — | |
| SCHEMBL23314070 | 0.65 | TAS2R38 (0.37) | — | |
| Hydrochloric Acid SCHEMBL2406861 | 0.65 | — | — | |
| SCHEMBL6040454 | 0.65 | — | — |
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-0343734-B1 | CATALYST COMPOSITIONS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1993-08-11 | — | — | EP | disclosed |
| US-4948870-A | Polymerization process | SHELL OIL COMPANY (US) | 1990-08-14 | — | — | US | disclosed |
| EP-0343734-A1 | Catalyst compositions | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-11-29 | — | — | EP | disclosed |