⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26832925 | 0.83 | — | — | |
| SCHEMBL29548697 | 0.70 | CA12 (0.31) | — | |
| SCHEMBL12786569 | 0.69 | KDM4E (0.33) | — | |
| SCHEMBL14734210 | 0.67 | — | — | |
| SCHEMBL10171267 | 0.65 | — | — | |
| SCHEMBL1629839 | 0.64 | — | — | |
| SCHEMBL15001320 | 0.62 | — | — | |
| SCHEMBL21826086 | 0.62 | CYP3A4 (0.38) | — | |
| SCHEMBL13715063 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL14734092 | 0.62 | ALDH1A1 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220144829-A1 | AMINO ACID COMPOUNDS AND METHODS OF USE | PLIANT THERAPEUTICS, INC. | 2022-05-12 | — | — | US | disclosed |
| US-11180494-B2 | Substituted amino acids as integrin inhibitors | PLIANT THERAPEUTICS, INC. (US) | 2021-11-23 | — | — | US | disclosed |
| US-20200109141-A1 | AMINO ACID COMPOUNDS AND METHODS OF USE | PLIANT THERAPEUTICS, INC. | 2020-04-09 | — | — | US | disclosed |