⚠ 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 | |
|---|---|---|---|---|
| Isopropylamine SCHEMBL8065733 | 0.86 | — | — | |
| L-Alaninol SCHEMBL8676298 | 0.86 | — | — | |
| L-Alaninol SCHEMBL30499 | 0.86 | — | — | |
| L-Alaninol SCHEMBL30417235 | 0.86 | — | — | |
| L-Alaninol SCHEMBL7787362 | 0.86 | TSHR (0.54) | — | |
| L-Alaninol SCHEMBL2804901 | 0.86 | TSHR (0.54) | — | |
| L-Alaninol SCHEMBL1331749 | 0.86 | — | — | |
| L-Alaninol SCHEMBL82137 | 0.86 | — | — | |
| L-Alaninol SCHEMBL72189 | 0.86 | — | — | |
| L-Alaninol SCHEMBL1864920 | 0.82 | — | — |
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-5110966-A | New organoboron reagents for the preparation unsubstituted propargylic alcohols | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-05-05 | — | — | US | disclosed |