⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9770102 | 0.70 | DPP4 (0.40) | — | |
| SCHEMBL18584167 | 0.69 | — | — | |
| SCHEMBL18363071 | 0.63 | ALDH1A1 (0.38) | — | |
| SCHEMBL18594017 | 0.61 | MEN1 (0.36) | — | |
| SCHEMBL6183360 | 0.60 | BRD4 (0.48) | — | |
| SCHEMBL9770183 | 0.60 | DPP4 (0.37) | — | |
| Hydrochloric Acid SCHEMBL1394817 | 0.57 | DPP4 (0.35) | — | |
| SCHEMBL19265118 | 0.57 | AKT1 (0.42) | — | |
| SCHEMBL10877540 | 0.56 | HTT (0.33) | — | |
| SCHEMBL10575553 | 0.56 | OPRM1 (0.46) | — |
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-20170057965-A1 | PYRROLOPYRIMIDINE DERIVATIVES AS TAM INHIBITORS | INCYTE CORPORATION | 2017-03-02 | — | — | US | disclosed |