⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL333709 | 0.92 | TSHR (0.34) | — | |
| SCHEMBL334570 | 0.91 | — | — | |
| SCHEMBL334335 | 0.78 | — | — | |
| SCHEMBL28783562 | 0.77 | APP (0.37) | — | |
| SCHEMBL27537952 | 0.75 | CA1 (0.32) | — | |
| SCHEMBL16804326 | 0.75 | FNTA (0.34) | — | |
| Thiosulfuric Acid SCHEMBL31613053 | 0.75 | TP53 (0.37) | — | |
| SCHEMBL31199148 | 0.75 | EPHX2 (0.38) | — | |
| SCHEMBL28306198 | 0.75 | EPHX2 (0.38) | — | |
| SCHEMBL7094220 | 0.74 | KDM4E (0.35) | — |
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-20070093612-A1 | Composition, cured article, and associated method | GENERAL ELECTRIC COMPANY (US) | 2007-04-26 | — | — | US | claimed |