⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22555800 | 0.77 | — | — | |
| SCHEMBL18114605 | 0.75 | — | — | |
| SCHEMBL21630274 | 0.75 | — | — | |
| SCHEMBL4760870 | 0.75 | — | — | |
| SCHEMBL5777184 | 0.75 | — | — | |
| SCHEMBL9497786 | 0.75 | — | — | |
| SCHEMBL21630299 | 0.75 | — | — | |
| SCHEMBL2051187 | 0.73 | TRHR (0.31) | — | |
| SCHEMBL2053327 | 0.72 | CYP3A4 (0.31) | — | |
| SCHEMBL28234485 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5112844-A | Micelles | MEDICE CHEM.-PHARM. FABRIK PUTTER GMBH & CO. KG (DE) | 1992-05-12 | — | — | US | disclosed |
| US-5051435-A | Micelles of triazolium compounds as cationic surfactants | MEDICE CHEM.-PHARM. FABRIK PUTTER GMBH & CO. KG (DE) | 1991-09-24 | — | — | US | disclosed |
| US-4882435-A | CATIONIC TENSIDES; THIADIAZOLIUM SALTS | MEDICE CHEM.-PHARM. FABRIK (DE) | 1989-11-21 | — | — | US | disclosed |
| US-4877883-A | CATIONIC SURFACTANTS | MEDICE CHEM.-PHARM. FABRIK PUTTER GMBH & CO. KG (DE) | 1989-10-31 | — | — | US | disclosed |