⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14191787 | 0.88 | — | — | |
| SCHEMBL23367500 | 0.83 | — | — | |
| SCHEMBL18607299 | 0.78 | TDP1 (0.35) | — | |
| SCHEMBL20698064 | 0.72 | — | — | |
| SCHEMBL20964080 | 0.72 | THRB (0.32) | — | |
| SCHEMBL25993472 | 0.70 | KDM4E (0.33) | — | |
| SCHEMBL18696909 | 0.69 | GRIK1 (0.33) | — | |
| SCHEMBL18699299 | 0.67 | — | — | |
| SCHEMBL11581028 | 0.67 | — | — | |
| SCHEMBL12826261 | 0.67 | — | — |
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-20170067084-A1 | PRODUCTION OF CHIRAL 1,2-AMINO ALCOHOLS AND ALPHA-AMINO ACIDS FROM ALKENES BY CASCADE BIOCATALYSIS | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2017-03-09 | — | — | US | disclosed |