⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL506522 | 0.75 | — | — | |
| SCHEMBL29129477 | 0.65 | TSHR (0.31) | — | |
| SCHEMBL10524658 | 0.65 | — | — | |
| SCHEMBL151 | 0.65 | — | — | |
| SCHEMBL8056118 | 0.65 | — | — | |
| SCHEMBL2510885 | 0.65 | NR1H2 (0.33) | — | |
| SCHEMBL31683708 | 0.62 | — | — | |
| SCHEMBL17960006 | 0.62 | — | — | |
| SCHEMBL12482704 | 0.62 | — | — | |
| SCHEMBL7703184 | 0.61 | — | — |
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-20120029226-A1 | METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES | DSM IP ASSETS B.V. (NL) | 2012-02-02 | — | — | US | disclosed |