⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8605864 | 0.91 | ALDH1A1 (0.43) | — | |
| SCHEMBL4795813 | 0.77 | — | — | |
| SCHEMBL10615539 | 0.77 | — | — | |
| SCHEMBL4804259 | 0.76 | — | — | |
| SCHEMBL293808 | 0.76 | — | — | |
| SCHEMBL1876548 | 0.75 | — | — | |
| SCHEMBL7747430 | 0.74 | LDHA (0.40) | — | |
| SCHEMBL433587 | 0.74 | — | — | |
| SCHEMBL5533465 | 0.74 | ALDH1A1 (0.72) | — | |
| SCHEMBL229666 | 0.72 | — | — |
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-0726909-A1 | N-ALKYL PEPTIDE CHELATE FORMERS, THEIR METAL COMPLEXES WITH RADIONUCLIDES, PROCESSES FOR PRODUCING THEM AND RADIO-PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS | INSTITUT FÜR DIAGNOSTIKFORSCHUNG GmbH AN DER FREIEN UNIVERSITÄT BERLIN (DE) | 1996-08-21 | — | — | EP | disclosed |
| WO-1995012610-A1 | N-ALKYL PEPTIDE CHELATE FORMERS, THEIR METAL COMPLEXES WITH RADIONUCLIDES, PROCESSES FOR PRODUCING THEM AND RADIO-PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS | Institut für Diagnostikforschung GmbH an der Freien Universität Berlin (DE) | 1995-05-11 | — | — | WO | disclosed |