⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10072576 | 1.00 | — | — | |
| SCHEMBL1932366 | 1.00 | — | — | |
| SCHEMBL1911972 | 0.82 | — | — | |
| SCHEMBL19352997 | 0.82 | ALDH1A1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL28180010 | 0.78 | — | — | |
| SCHEMBL3505339 | 0.75 | — | — | |
| SCHEMBL8734693 | 0.75 | — | — | |
| SCHEMBL827687 | 0.75 | ALDH1A1 (0.39) | — | |
| SCHEMBL14955836 | 0.75 | TSHR (0.41) | — | |
| SCHEMBL10445527 | 0.72 | ALDH1A1 (0.36) | — |
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-2010146172-A2 | NEW SYNTHETIC ROUTE FOR THE PREPARATION OF α-AMINO BORONIC ACID DERIVATIVES VIA SUBSTITUTED ALK-1-YNES | LEK PHARMACEUTICALS D.D. (SI) | 2010-12-23 | — | — | WO | disclosed |