⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15047299 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL15047285 | 0.76 | — | — | |
| SCHEMBL20609972 | 0.75 | — | — | |
| SCHEMBL20609964 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL582409 | 0.73 | — | — | |
| SCHEMBL12087451 | 0.73 | — | — | |
| Hypochlorous Acid SCHEMBL11418672 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL20118616 | 0.70 | ALDH1A1 (0.41) | — | |
| SCHEMBL17607553 | 0.70 | — | — | |
| SCHEMBL24952291 | 0.65 | ALDH1A1 (0.36) | — |
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-9045511-B2 | Supported ligands having a high local density of coordinating atoms | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2015-06-02 | — | — | US | disclosed |
| US-20130158219-A1 | SUPPORTED LIGANDS HAVING A HIGH LOCAL DENSITY OF COORDINATING ATOMS | UNIVERSITE DE BOURGOGNE (FR) | 2013-06-20 | — | — | US | disclosed |