⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8903860 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL8906605 | 0.73 | MEN1 (0.31) | — | |
| SCHEMBL8503689 | 0.73 | CA2 (0.33) | — | |
| SCHEMBL8903993 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL8904742 | 0.72 | MAOB (0.31) | — | |
| SCHEMBL8904387 | 0.71 | MAOB (0.30) | — | |
| SCHEMBL8903594 | 0.70 | ESRRG (0.32) | — | |
| SCHEMBL8503808 | 0.69 | — | — | |
| SCHEMBL8905526 | 0.69 | POLB (0.33) | — | |
| SCHEMBL8905010 | 0.68 | — | — |
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-5703125-A | MELT BLEND OF SOAP, SURFACTANT AND SOLVENT | G. D. SEARLE & CO. (US) | 1997-12-30 | — | — | US | disclosed |