⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13673906 | 1.00 | — | — | |
| SCHEMBL13673856 | 1.00 | — | — | |
| SCHEMBL16562296 | 0.80 | — | — | |
| SCHEMBL28385888 | 0.80 | — | — | |
| SCHEMBL6029917 | 0.80 | ALDH1A1 (0.39) | — | |
| SCHEMBL19020282 | 0.75 | — | — | |
| SCHEMBL28845338 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL10754291 | 0.75 | — | — | |
| SCHEMBL13673862 | 0.75 | TSHR (0.31) | — | |
| SCHEMBL19934655 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100130469-A1 | 2, 6-NAPHTHRIDINE DERIVATIVES | VAN EIS MAURICE | 2010-05-27 | — | — | US | disclosed |
| US-20090247519-A1 | AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2009-10-01 | — | — | US | disclosed |