⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4749759 | 0.75 | TSHR (0.37) | — | |
| SCHEMBL16398957 | 0.73 | TSHR (0.52) | — | |
| SCHEMBL1144232 | 0.71 | — | — | |
| SCHEMBL29204248 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL5084658 | 0.68 | — | — | |
| SCHEMBL9714982 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL14986733 | 0.67 | — | — | |
| SCHEMBL3741955 | 0.65 | — | — | |
| SCHEMBL27428130 | 0.65 | ALDH1A1 (0.36) | — | |
| SCHEMBL28796314 | 0.64 | ALDH1A1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5372854-A | Maintaining uniform moisture content in cotton bales by spraying before compression with a dimethylsiloxane homo- or copolymer | TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) | 1994-12-13 | — | — | US | disclosed |
| EP-0468626-B1 | Cotton bales and method of producing same | TAKEMOTO OIL & FAT CO LTD (JP) | 1994-06-01 | — | — | EP | disclosed |
| US-5188224-A | Water insoluble, protective coating of polysiloxane adhesive coating attached to lint cotton | TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) | 1993-02-23 | — | — | US | disclosed |