⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL800923 | 1.00 | — | — | |
| SCHEMBL27466399 | 0.77 | — | — | |
| SCHEMBL11289792 | 0.75 | — | — | |
| SCHEMBL27699088 | 0.75 | — | — | |
| SCHEMBL19689362 | 0.73 | — | — | |
| SCHEMBL7532666 | 0.73 | — | — | |
| SCHEMBL620412 | 0.72 | CA1 (0.36) | — | |
| SCHEMBL181668 | 0.72 | CYP2D6 (0.36) | — | |
| SCHEMBL9220757 | 0.71 | — | — | |
| SCHEMBL12663724 | 0.69 | SLC22A6 (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180194729-A1 | 18F - TAGGED INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) AND THEIR USE AS IMAGING AGENTS FOR PROSTATE CANCER | DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) | 2018-07-12 | — | — | US | disclosed |
| US-10016519-B2 | 18F-tagged inhibitors of prostate specific membrane antigen (PSMA), their use as imaging agents and pharmaceutical agents for the treatment of prostate cancer | DEUTSCHES KREBSFORSCHUNGSZENTRIUM (DE) | 2018-07-10 | — | — | US | disclosed |
| 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 |