⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5315234 | 0.79 | ALDH1A1 (0.45) | — | |
| SCHEMBL5310588 | 0.78 | ALDH1A1 (0.51) | — | |
| SCHEMBL5718743 | 0.75 | — | — | |
| SCHEMBL301527 | 0.74 | LMNA (0.54) | — | |
| SCHEMBL15957207 | 0.73 | LMNA (0.49) | — | |
| SCHEMBL6317990 | 0.73 | HDAC3 (0.54) | — | |
| SCHEMBL5673172 | 0.71 | KDM4E (0.57) | — | |
| SCHEMBL5528162 | 0.70 | TRPV1 (0.72) | — | |
| SCHEMBL4644856 | 0.70 | GAA (0.45) | — | |
| SCHEMBL4640562 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007047575-A2 | PHARMACOLOGICAL TREATMENTS FOR SLEEP-RELATED BREATHING DISORDERS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2007-04-26 | — | — | WO | disclosed |