⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28844201 | 0.73 | HIF1A (0.33) | — | |
| SCHEMBL10865439 | 0.73 | MGLL (0.44) | — | |
| SCHEMBL16241323 | 0.69 | — | — | |
| SCHEMBL16749044 | 0.69 | — | — | |
| SCHEMBL4011856 | 0.69 | — | — | |
| SCHEMBL8507426 | 0.69 | — | — | |
| SCHEMBL6395961 | 0.69 | — | — | |
| SCHEMBL24724463 | 0.65 | — | — | |
| SCHEMBL23126257 | 0.63 | — | — | |
| SCHEMBL17058148 | 0.63 | ADRB1 (0.32) | — |
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-2022157166-A1 | THIAZOLOPYRIMIDONES AS INHIBITORS OF DDR1/2 AND THERAPEUTIC USES THEREOF | Fundación Del Sector Público Estatal Centro Nacional De Investigaciones Oncológicas Carlos III (F.S.P. CNIO) (ES) | 2022-07-28 | — | — | WO | disclosed |