⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15830430 | 0.77 | — | — | |
| SCHEMBL15835829 | 0.75 | KDM5A (0.32) | — | |
| SCHEMBL19631648 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL10716175 | 0.73 | — | — | |
| SCHEMBL12367887 | 0.73 | — | — | |
| SCHEMBL22169579 | 0.71 | KDM4C (0.38) | — | |
| Hydrochloric Acid SCHEMBL22771736 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL22771738 | 0.70 | — | — | |
| SCHEMBL23131748 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL28088305 | 0.69 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| US-10882871-B2 | 18/19F-labelled compounds which target the prostate specific membrane antigen | BRITISH COLUMBIA CANCER AGENCY BRANCH | 2021-01-05 | — | — | US | disclosed |