⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2521429 | 1.00 | — | — | |
| SCHEMBL2521432 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL17912464 | 0.97 | — | — | |
| SCHEMBL4609721 | 0.88 | — | — | |
| SCHEMBL15531073 | 0.88 | — | — | |
| SCHEMBL5700121 | 0.85 | EPHX1 (0.59) | — | |
| SCHEMBL670619 | 0.85 | EPHX1 (0.59) | — | |
| SCHEMBL672135 | 0.85 | EPHX1 (0.59) | — | |
| SCHEMBL21656667 | 0.85 | EPHX1 (0.59) | — | |
| Cyclohexane SCHEMBL2492289 | 0.85 | EPHX1 (0.59) | — |
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-20090247519-A1 | AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2009-10-01 | — | — | US | disclosed |
| WO-2007125331-A2 | AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2007-11-08 | — | — | WO | disclosed |