⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9423011 | 0.77 | — | — | |
| SCHEMBL6078457 | 0.71 | TSHR (0.44) | — | |
| SCHEMBL5017567 | 0.71 | LMNA (0.36) | — | |
| SCHEMBL157628 | 0.69 | — | — | |
| SCHEMBL4605448 | 0.67 | — | — | |
| SCHEMBL454817 | 0.67 | — | — | |
| SCHEMBL291974 | 0.67 | — | — | |
| SCHEMBL12884257 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL6227396 | 0.67 | — | — | |
| SCHEMBL7034844 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2008011478-A2 | METHODS FOR TREATING CHRONIC PAIN USING 3-ARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES, 3-HETEROARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS | ALLERGAN, INC. (US) | 2008-01-24 | — | — | WO | disclosed |