⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24652759 | 0.79 | — | — | |
| SCHEMBL24373166 | 0.79 | MEN1 (0.37) | — | |
| SCHEMBL24933454 | 0.75 | — | — | |
| SCHEMBL24305375 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL24652651 | 0.64 | — | — | |
| SCHEMBL24652646 | 0.63 | — | — | |
| SCHEMBL172044 | 0.56 | CYP3A4 (0.36) | — | |
| SCHEMBL22873524 | 0.55 | — | — | |
| SCHEMBL20437526 | 0.55 | TTR (0.33) | — | |
| SCHEMBL23647903 | 0.55 | ALDH1A1 (0.44) | — |
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-2019155399-A1 | TETRAHYDROQUINAZOLINE DERIVATIVES USEFUL AS ANTICANCER AGENTS | PFIZER INC. (US) | 2019-08-15 | — | — | WO | disclosed |