⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30504 | 0.93 | — | — | |
| SCHEMBL28266125 | 0.86 | — | — | |
| Bromide SCHEMBL20500129 | 0.86 | — | — | |
| Water SCHEMBL22207207 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL4467601 | 0.86 | — | — | |
| SCHEMBL27511012 | 0.86 | — | — | |
| SCHEMBL2597609 | 0.77 | — | — | |
| Propane SCHEMBL4016686 | 0.76 | TSHR (0.36) | — | |
| Benzene SCHEMBL27646915 | 0.76 | TP53 (0.33) | — | |
| Methylene Chloride SCHEMBL27749024 | 0.72 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105085565-A | Preparation method for hydroxypropyl (butyl) disiloxane | UNIV SHANDONG | 2015-11-25 | — | — | CN | disclosed |