⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL47889 | 0.87 | — | — | |
| SCHEMBL27510791 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL3078257 | 0.80 | — | — | |
| Ethylamine SCHEMBL2526141 | 0.71 | — | — | |
| Ethane SCHEMBL11155335 | 0.67 | — | — | |
| Ethylenediamine SCHEMBL9568006 | 0.67 | — | — | |
| Ethylamine SCHEMBL6889330 | 0.67 | — | — | |
| Ethane SCHEMBL3389018 | 0.67 | — | — | |
| Ethane SCHEMBL6706965 | 0.63 | — | — | |
| Ethane SCHEMBL11601448 | 0.62 | — | — |
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-0862464-A4 | AMINO ACID ANALOGS FOR TUMOR IMAGING | UNIV EMORY (US) | 2001-07-25 | — | — | EP | disclosed |
| EP-0862464-A1 | AMINO ACID ANALOGS FOR TUMOR IMAGING | EMORY UNIVERSITY (US) | 1998-09-09 | — | — | EP | disclosed |