⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19928466 | 1.00 | — | — | |
| SCHEMBL19928462 | 0.96 | — | — | |
| SCHEMBL19928452 | 0.96 | HSD11B1 (0.31) | — | |
| SCHEMBL19928454 | 0.93 | DPP4 (0.30) | — | |
| SCHEMBL20715709 | 0.91 | SHBG (0.33) | — | |
| SCHEMBL12384731 | 0.91 | — | — | |
| SCHEMBL17806197 | 0.91 | — | — | |
| SCHEMBL1532253 | 0.91 | — | — | |
| SCHEMBL24255705 | 0.89 | SHBG (0.34) | — | |
| SCHEMBL19928456 | 0.89 | SHBG (0.34) | — |
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-2018049068-A1 | N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE | PLIANT THERAPEUTICS, INC. (US) | 2018-03-15 | — | — | WO | disclosed |