⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3500665 | 0.82 | TSHR (0.38) | — | |
| SCHEMBL5489735 | 0.70 | — | — | |
| SCHEMBL105009 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL29390792 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL1578024 | 0.64 | — | — | |
| SCHEMBL605035 | 0.64 | — | — | |
| SCHEMBL606668 | 0.62 | — | — | |
| SCHEMBL31423403 | 0.60 | — | — | |
| Diisopropanolamine SCHEMBL3924466 | 0.58 | KMT2A (0.40) | — | |
| SCHEMBL438321 | 0.58 | — | — |
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-2007062198-A1 | METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY | ADVANCED CELL TECHNOLOGY, INC. (US) | 2007-05-31 | — | — | WO | disclosed |