⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15918517 | 0.75 | — | — | |
| SCHEMBL16347527 | 0.73 | — | — | |
| SCHEMBL16346066 | 0.73 | — | — | |
| SCHEMBL16574821 | 0.73 | — | — | |
| SCHEMBL5742656 | 0.73 | — | — | |
| SCHEMBL6550235 | 0.71 | — | — | |
| SCHEMBL16797521 | 0.71 | — | — | |
| SCHEMBL386857 | 0.71 | — | — | |
| SCHEMBL8320261 | 0.71 | HCAR2 (0.42) | — | |
| SCHEMBL7160703 | 0.71 | ALDH1A1 (0.41) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2976347-B1 | METAL-BASED COORDINATION COMPLEXES AS PHOTODYNAMIC COMPOUNDS AND THEIR USE | MCFARLAND SHERRI ANN (US) | 2022-01-19 | — | — | EP | disclosed |
| US-10766915-B2 | Metal-based coordination complexes as photodynamic compounds and their use | MCFARLAND SHERRI ANN (CA) | 2020-09-08 | — | — | US | disclosed |
| WO-2020021193-A1 | METHOD FOR THE PRODUCTION AND PURIFICATION OF 2-CHLORO-1,1,1,2-TETRAFLUOROPROPANE | ARKEMA FRANCE (FR) | 2020-01-30 | — | — | WO | disclosed |
| US-20160039854-A1 | METAL-BASED COORDINATION COMPLEXES AS PHOTODYNAMIC COMPOUNDS AND THEIR USE | MCFARLAND SHERRI ANN (CA) | 2016-02-11 | — | — | US | disclosed |
| CN-1145064-A | Process for preparing carboxyaryl sulfonic acids and their carboxylic acid derivatives | HOECHST SCHERING AGREVO GMBH (DE) | 1997-03-12 | — | — | CN | disclosed |
| EP-0039486-B1 | PREPARATION OF FURAN COMPOUNDS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1983-08-17 | — | — | EP | disclosed |
| EP-0039486-A1 | Preparation of furan compounds | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1981-11-11 | — | — | EP | disclosed |