⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2759612 | 0.78 | — | — | |
| SCHEMBL11277712 | 0.76 | — | — | |
| SCHEMBL17239537 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL23537951 | 0.74 | — | — | |
| SCHEMBL19454798 | 0.73 | — | — | |
| SCHEMBL25159807 | 0.73 | SLC1A3 (0.33) | — | |
| SCHEMBL15466580 | 0.72 | — | — | |
| SCHEMBL7697025 | 0.71 | — | — | |
| SCHEMBL25306113 | 0.70 | PTGS2 (0.39) | — | |
| SCHEMBL9664910 | 0.67 | — | — |
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-20170246327-A1 | 18F-TAGGED INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA), THEIR USE AS IMAGING AGENTS AND PHARMACEUTICAL AGENTS FOR THE TREATMENT OF PROSTATE CANCER | Ruprecht-Karls-Universität Heidelberg (DE) | 2017-08-31 | — | — | US | disclosed |