⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10954869 | 0.98 | DNM1 (0.31) | — | |
| SCHEMBL705815 | 0.88 | ALDH1A1 (0.33) | — | |
| SCHEMBL704674 | 0.88 | ALDH1A1 (0.33) | — | |
| SCHEMBL28373768 | 0.84 | ALDH1A1 (0.31) | — | |
| SCHEMBL705356 | 0.83 | ALDH1A1 (0.36) | — | |
| SCHEMBL28367825 | 0.80 | TSHR (0.35) | — | |
| SCHEMBL11232925 | 0.80 | TSHR (0.31) | — | |
| SCHEMBL28373331 | 0.80 | TSHR (0.35) | — | |
| SCHEMBL27231158 | 0.77 | CYP1A2 (0.30) | — | |
| SCHEMBL27182160 | 0.73 | NFKB1 (0.30) | — |
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-20030053975-A1 | W/O EMULSIONS COMPRISING AMINO-FUNCTIONAL ORGANOPOLYSILOXANES | TH. GOLDSCHMIDT AG (DE) | 2003-03-20 | — | — | US | disclosed |