⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3933052 | 0.80 | — | — | |
| SCHEMBL29957085 | 0.78 | KDM4E (0.35) | — | |
| SCHEMBL3239495 | 0.77 | — | — | |
| SCHEMBL10898072 | 0.74 | FFAR3 (0.31) | — | |
| SCHEMBL18731192 | 0.73 | CYP1A2 (0.33) | — | |
| SCHEMBL7350471 | 0.73 | CYP1A2 (0.36) | — | |
| SCHEMBL12049719 | 0.72 | CYP3A4 (0.38) | — | |
| SCHEMBL21581575 | 0.72 | OPRL1 (0.34) | — | |
| SCHEMBL14146934 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL4187602 | 0.71 | CYP2C19 (0.35) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100317848-A1 | PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-12-16 | — | — | US | disclosed |