⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8524597 | 1.00 | — | — | |
| SCHEMBL29572329 | 1.00 | — | — | |
| SCHEMBL1206453 | 0.74 | — | — | |
| SCHEMBL1206451 | 0.74 | — | — | |
| SCHEMBL2519747 | 0.74 | — | — | |
| SCHEMBL14616173 | 0.74 | — | — | |
| SCHEMBL7572050 | 0.73 | — | — | |
| SCHEMBL7572048 | 0.73 | — | — | |
| SCHEMBL28301756 | 0.72 | ALDH1A1 (0.43) | — | |
| Methyl Alcohol SCHEMBL998584 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0612713-B1 | Process for the carbonylation of allylic butenols and their esters | RHONE POULENC CHIMIE (FR) | 1997-06-18 | — | — | EP | claimed |
| US-5908803-A | SOLUTION ALSO COMPRISING AT LEAST 3-PENTENOIC ACID, SAID PROCESS COMPRISING ACIDIFYING AND STIRRING SAID SOLUTION WITH AN AQUEOUS SOLUTION OF HYDROCHLORIC ACID TO AFFORD TWO LIQUID PHASES, ONE OF SAID PHASES BEING AN AQUEOUS PHASE COMPRISING A | RHONE-POULENC FIBER & RESIN INTERMEDIATES (FR) | 1999-06-01 | — | — | US | disclosed |