⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9483265 | 0.91 | GAA (0.31) | — | |
| SCHEMBL9481727 | 0.91 | OPRM1 (0.31) | — | |
| SCHEMBL7652892 | 0.91 | MEN1 (0.31) | — | |
| SCHEMBL9482285 | 0.90 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL28126854 | 0.88 | MAOB (0.31) | — | |
| Bromide SCHEMBL27696944 | 0.88 | MEN1 (0.30) | — | |
| SCHEMBL8403993 | 0.81 | OPRM1 (0.34) | — | |
| SCHEMBL8299920 | 0.81 | ALDH1A1 (0.34) | — | |
| Oxalic Acid SCHEMBL7627145 | 0.80 | TAAR1 (0.35) | — | |
| SCHEMBL23563764 | 0.79 | IDO1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5206312-A | Polysiloxanes hydrosilated with unsaturated aromatic alcohols and siloxy-containing compounds having hydroxy groups to advance polyepoxides and epoxy resins; electronics; coatings; composites | THE DOW CHEMICAL COMPANY (US) | 1993-04-27 | — | — | US | disclosed |