⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17471230 | 0.85 | HCRTR2 (0.32) | — | |
| SCHEMBL24462741 | 0.79 | HCRTR2 (0.39) | — | |
| SCHEMBL20021699 | 0.79 | HCRTR2 (0.39) | — | |
| SCHEMBL20825584 | 0.76 | KDM1A (0.30) | — | |
| SCHEMBL12841653 | 0.74 | — | — | |
| SCHEMBL20825405 | 0.73 | EPHX2 (0.33) | — | |
| SCHEMBL8077669 | 0.70 | NPC1 (0.37) | — | |
| SCHEMBL12606264 | 0.70 | — | — | |
| SCHEMBL31381268 | 0.70 | RAB9A (0.36) | — | |
| SCHEMBL30755013 | 0.70 | RAB9A (0.36) | — |
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-20230365556-A1 | N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE | PLIANT THERAPEUTICS, INC. (US) | 2023-11-16 | — | — | US | disclosed |
| US-11673887-B2 | N-acyl amino acid compounds and methods of use | PLIANT THERAPEUTICS, INC. (US) | 2023-06-13 | — | — | US | disclosed |
| US-20180093984-A1 | N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE | PLIANT THERAPEUTICS, INC. | 2018-04-05 | — | — | US | disclosed |