⚠ 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 | |
|---|---|---|---|---|
| Pentanal SCHEMBL622584 | 0.97 | TSHR (1.00) | — | |
| Pentanal SCHEMBL28721 | 0.97 | — | — | |
| Pentanal SCHEMBL11299036 | 0.93 | — | — | |
| Pentanal SCHEMBL1628430 | 0.93 | — | — | |
| Pentanal SCHEMBL5172697 | 0.93 | — | — | |
| Pentanal SCHEMBL4430016 | 0.93 | — | — | |
| Pentanal SCHEMBL7624050 | 0.93 | — | — | |
| Pentanal SCHEMBL11434933 | 0.93 | — | — | |
| Pentanal SCHEMBL24385 | 0.93 | — | — | |
| Pentanal SCHEMBL4581160 | 0.93 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100290332-A1 | OPTICAL DATA CARRIER WITH REFERENCE LAYER | MEMPILE INC. (US) | 2010-11-18 | — | — | US | disclosed |
| WO-2008139453-A2 | OPTICAL DATA CARRIER WITH REFERENCE LAYER | MEMPILE INC. (US) | 2008-11-20 | — | — | WO | disclosed |
| EP-0345861-B1 | ALKOXYLATION PROCESS CATALYZED BY COMPOUNDS OF THE RARE EARTH ELEMENTS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1993-01-20 | — | — | EP | disclosed |
| US-5057628-A | Forming alkylene oxide adducts from vicinal alkylene oxides and active hydrogen containing compounds | SHELL OIL COMPANY (US) | 1991-10-15 | — | — | US | disclosed |
| EP-0345861-A1 | Alkoxylation process catalyzed by compounds of the rare earth elements | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-12-13 | — | — | EP | disclosed |