⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21577564 | 0.88 | RIPK1 (0.32) | — | |
| SCHEMBL15490630 | 0.86 | RORC (0.33) | — | |
| SCHEMBL10202606 | 0.84 | DPP4 (0.35) | — | |
| SCHEMBL18702002 | 0.77 | EPHX2 (0.35) | — | |
| SCHEMBL15490628 | 0.76 | SPR (0.42) | — | |
| SCHEMBL17886961 | 0.73 | MEN1 (0.34) | — | |
| SCHEMBL13002698 | 0.73 | DPP4 (0.41) | — | |
| SCHEMBL20434830 | 0.73 | RIPK1 (0.37) | — | |
| SCHEMBL24621674 | 0.72 | MEN1 (0.32) | — | |
| SCHEMBL15617801 | 0.71 | MEN1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180214458-A1 | 1,5-DIHYDRO-2H-PYRROL-2-ONE COMPOUNDS AND METHODS OF USING SAME | Frequency Therapeutics, Inc. | 2018-08-02 | — | — | US | disclosed |