⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29064117 | 0.84 | — | — | |
| SCHEMBL4063752 | 0.79 | DPP4 (0.47) | — | |
| SCHEMBL24967539 | 0.78 | — | — | |
| SCHEMBL537569 | 0.76 | SLC7A5 (0.58) | — | |
| SCHEMBL588601 | 0.76 | SLC7A5 (0.58) | — | |
| SCHEMBL537570 | 0.76 | SLC7A5 (0.58) | — | |
| SCHEMBL10927828 | 0.76 | ALOX5 (0.50) | — | |
| SCHEMBL6575823 | 0.73 | TAAR1 (0.48) | — | |
| SCHEMBL681105 | 0.73 | — | — | |
| SCHEMBL29482784 | 0.72 | PTPN2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0435840-A2 | Process for the preparation of 2-(2-furyl) ethanol amine | MONSANTO COMPANY (US) | 1991-07-03 | — | — | EP | disclosed |
| US-4962212-A | Process for the preparation of 2-(2-furyl)ethanol amine | MONSANTO COMPANY (US) | 1990-10-09 | — | — | US | disclosed |