⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8955219 | 0.78 | CA12 (0.35) | — | |
| SCHEMBL9075669 | 0.78 | — | — | |
| SCHEMBL250661 | 0.74 | IDO1 (0.43) | — | |
| SCHEMBL11313233 | 0.73 | CA1 (0.52) | — | |
| SCHEMBL21162070 | 0.71 | TSHR (0.34) | — | |
| SCHEMBL15350067 | 0.71 | TSHR (0.34) | — | |
| SCHEMBL10815572 | 0.70 | — | — | |
| SCHEMBL2431139 | 0.69 | ACHE (0.44) | — | |
| SCHEMBL28113583 | 0.69 | TSHR (0.31) | — | |
| SCHEMBL2210588 | 0.69 | ACHE (0.44) | — |
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-1364981-B1 | Method for preparing polymer structures with bound transition metals | KARLSRUHER INST FÜR TECHNOLOGIE (DE) | 2014-08-06 | — | — | EP | disclosed |
| EP-1364981-A1 | Method for preparing polymer structures with bound transition metals | Forschungszentrum Karlsruhe GmbH (DE) | 2003-11-26 | — | — | EP | disclosed |