⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL423317 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL6006269 | 0.65 | ALDH1A1 (0.41) | — | |
| SCHEMBL707960 | 0.65 | ALDH1A1 (0.36) | — | |
| SCHEMBL4212873 | 0.65 | ALDH1A1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL38651990 | 0.63 | ALDH1A1 (0.34) | — | |
| SCHEMBL6445786 | 0.63 | ALDH1A1 (0.30) | — | |
| SCHEMBL1415043 | 0.62 | — | — | |
| SCHEMBL29239515 | 0.62 | — | — | |
| SCHEMBL20656 | 0.60 | TSHR (0.43) | — | |
| SCHEMBL7549527 | 0.60 | TSHR (0.43) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1070724-B1 | Mixtures comprising tetrakis(pyrrolidino/piperidino)phosphonium salts | CLARIANT GMBH (DE) | 2003-03-05 | — | — | EP | disclosed |
| US-6407029-B1 | CATALYST, PHASE TRANSFER AGENT | CLARIANT GMBH (DE) | 2002-06-18 | — | — | US | disclosed |
| EP-1070724-A1 | Mixtures comprising tetrakis(pyrrolidino/piperidino)phosphonium salts | Clariant GmbH (DE) | 2001-01-24 | — | — | EP | disclosed |