⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL115342 | 0.97 | — | — | |
| SCHEMBL28090571 | 0.94 | — | — | |
| SCHEMBL27526900 | 0.94 | — | — | |
| Water SCHEMBL28004132 | 0.94 | — | — | |
| Ethylene SCHEMBL27637339 | 0.94 | — | — | |
| SCHEMBL28044281 | 0.94 | — | — | |
| SCHEMBL1025487 | 0.94 | — | — | |
| Hydrogen Sulfide SCHEMBL27703613 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL1427875 | 0.94 | — | — | |
| SCHEMBL28044296 | 0.94 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-1031783-A | — | — | None | — | — | JP | disclosed |
| US-4832872-A | ANIONIC, CATIONIC AND AMPHOTERIC SURFACTANT BLENDS | RICHARDSON-VICKS INC. (US) | 1989-05-23 | — | — | US | disclosed |