⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7939363 | 0.90 | TSHR (0.44) | — | |
| Fluoride SCHEMBL28872331 | 0.87 | TSHR (0.42) | — | |
| SCHEMBL28148538 | 0.82 | — | — | |
| Fluoride SCHEMBL27930934 | 0.72 | TSHR (0.39) | — | |
| SCHEMBL4724 | 0.65 | — | — | |
| SCHEMBL27869841 | 0.63 | — | — | |
| Fluoride SCHEMBL27602924 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL28795174 | 0.63 | — | — | |
| SCHEMBL27711501 | 0.63 | — | — | |
| Hexane SCHEMBL11586654 | 0.61 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5516871-A | Diphenylsiloxane oligomers functionalized at both terminals and methods for the preparation thereof | DOW CORNING ASIA, LTD. (JP) | 1996-05-14 | — | — | US | claimed |
| US-5502229-A | ENDCAPPING | DOW CORNING ASIA, LTD. (JP) | 1996-03-26 | — | — | US | claimed |
| US-5516871-A | Diphenylsiloxane oligomers functionalized at both terminals and methods for the preparation thereof | DOW CORNING ASIA, LTD. (JP) | 1996-05-14 | — | — | US | disclosed |
| US-5502229-A | ENDCAPPING | DOW CORNING ASIA, LTD. (JP) | 1996-03-26 | — | — | US | disclosed |