⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26076 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL27278218 | 0.83 | — | — | |
| SCHEMBL1100858 | 0.83 | — | — | |
| SCHEMBL4891349 | 0.80 | ALDH1A1 (0.46) | — | |
| Ammonia Solution, Strong SCHEMBL724749 | 0.80 | ALDH1A1 (0.46) | — | |
| SCHEMBL18232004 | 0.78 | ALDH1A1 (0.54) | — | |
| SCHEMBL18222630 | 0.78 | — | — | |
| SCHEMBL18222613 | 0.78 | — | — | |
| SCHEMBL33592 | 0.75 | — | — | |
| SCHEMBL8758088 | 0.75 | — | — |
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-20160332940-A1 | PROCESSES FOR THE SYNTHESIS OF CHIRAL 1-ALKANOLS | PURDUE RESEARCH FOUNDATION (US) | 2016-11-17 | — | — | US | disclosed |