⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12826931 | 0.82 | CYP2C9 (0.43) | — | |
| SCHEMBL7604693 | 0.80 | — | — | |
| SCHEMBL875553 | 0.80 | — | — | |
| SCHEMBL5091085 | 0.78 | — | — | |
| SCHEMBL28198989 | 0.78 | DNM1 (0.57) | — | |
| SCHEMBL14712883 | 0.78 | — | — | |
| SCHEMBL5091083 | 0.78 | — | — | |
| SCHEMBL8471343 | 0.78 | — | — | |
| SCHEMBL6450119 | 0.77 | CYP2C9 (0.43) | — | |
| SCHEMBL6467471 | 0.76 | CYP2C9 (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 |
|---|---|---|---|---|---|---|---|
| WO-2021234181-A1 | USE OF FAP INHIBITOR IN A METHOD OF DIAGNOSIS | Universität Heidelberg (DE) | 2021-11-25 | — | — | WO | disclosed |