⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8904284 | 0.87 | — | — | |
| SCHEMBL8904392 | 0.86 | — | — | |
| SCHEMBL8904946 | 0.84 | ESRRG (0.30) | — | |
| SCHEMBL8911473 | 0.84 | — | — | |
| SCHEMBL8904742 | 0.83 | MAOB (0.31) | — | |
| SCHEMBL8904387 | 0.82 | MAOB (0.30) | — | |
| SCHEMBL8503689 | 0.82 | CA2 (0.33) | — | |
| SCHEMBL8905092 | 0.82 | — | — | |
| SCHEMBL8904728 | 0.81 | — | — | |
| SCHEMBL8903594 | 0.81 | ESRRG (0.32) | — |
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 |