⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6757980 | 1.00 | — | — | |
| SCHEMBL6757966 | 1.00 | — | — | |
| SCHEMBL6758020 | 1.00 | — | — | |
| SCHEMBL6884434 | 1.00 | — | — | |
| SCHEMBL6758012 | 1.00 | — | — | |
| SCHEMBL8256202 | 1.00 | — | — | |
| Bicarbonate SCHEMBL11291705 | 0.88 | TRPA1 (0.44) | — | |
| SCHEMBL11376568 | 0.84 | — | — | |
| SCHEMBL5868611 | 0.84 | — | — | |
| (-)-(1S,3R,4S,6S)-6-Hydroxymenthol SCHEMBL7043768 | 0.84 | TRPA1 (0.52) | — |
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-20110112052-A1 | SPIRO-OXINDOLE MDM2 ANTAGONISTS | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2011-05-12 | — | — | US | disclosed |