⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5874277 | 0.82 | KMT2A (0.30) | — | |
| SCHEMBL5874788 | 0.75 | — | — | |
| SCHEMBL5874405 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL7211813 | 0.72 | ALDH1A1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL9652925 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL4661613 | 0.70 | ELANE (0.35) | — | |
| SCHEMBL5875270 | 0.70 | TSHR (0.37) | — | |
| SCHEMBL5875252 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL8723536 | 0.70 | — | — | |
| SCHEMBL1845257 | 0.70 | TSHR (0.33) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0749952-B1 | Process for the preparation of citraconic anhydride | RHODIA CHIMIE SA (FR) | 2002-05-29 | — | — | EP | claimed |
| US-5824820-A | Process for the preparation of citraconic anhydride | RHONE-POULENC CHIMIE (FR) | 1998-10-20 | — | — | US | claimed |
| EP-0665211-B1 | Process for preparing citraconic anhydride | RHONE POULENC CHIMIE (FR) | 1997-09-03 | — | — | EP | claimed |
| JP-7247277-A | — | — | None | — | — | JP | disclosed |
| US-7128976-B2 | Composition for film formation, method of film formation, and silica-based film | JSR CORPORATION (JP) | 2006-10-31 | — | — | US | disclosed |
| US-20030091838-A1 | Composition for film formation, method of film formation, and silica-based film | JSR CORPORATION (JP) | 2003-05-15 | — | — | US | disclosed |
| US-5824820-A | Process for the preparation of citraconic anhydride | RHONE-POULENC CHIMIE (FR) | 1998-10-20 | — | — | US | disclosed |
| US-5670659-A | Preparation of citraconic anhydride | RHONE-POULENC CHIMIE (FR) | 1997-09-23 | — | — | US | disclosed |
| JP-H07247277-A | PREPARATION OF CITRACONIC ANHYDRIDE | RHONE POULENC CHIM | 1995-09-26 | — | — | JP | disclosed |