⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18604562 | 0.87 | SELL (0.35) | — | |
| SCHEMBL3964528 | 0.79 | ERN1 (0.45) | — | |
| SCHEMBL18593430 | 0.76 | — | — | |
| SCHEMBL20127862 | 0.74 | IDO1 (0.30) | — | |
| SCHEMBL21546186 | 0.72 | — | — | |
| SCHEMBL22560723 | 0.72 | — | — | |
| SCHEMBL13318431 | 0.72 | CA1 (0.52) | — | |
| SCHEMBL13318430 | 0.72 | ESR1 (0.36) | — | |
| SCHEMBL4215545 | 0.71 | NR1H2 (0.32) | — | |
| SCHEMBL4572706 | 0.71 | IDO1 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7371879-B2 | Bivalent monomeric phenoxy tin compounds | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-05-13 | — | — | US | claimed |