⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14321562 | 1.00 | — | — | |
| SCHEMBL14320919 | 1.00 | — | — | |
| SCHEMBL14556268 | 0.81 | TSHR (0.31) | — | |
| SCHEMBL29087909 | 0.81 | TSHR (0.31) | — | |
| SCHEMBL30377725 | 0.77 | CA1 (0.32) | — | |
| SCHEMBL15369672 | 0.77 | CA1 (0.39) | — | |
| SCHEMBL14209777 | 0.77 | — | — | |
| SCHEMBL838764 | 0.76 | CA1 (0.31) | — | |
| SCHEMBL838763 | 0.76 | CA1 (0.31) | — | |
| SCHEMBL14237209 | 0.76 | CA1 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120328518-A1 | PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS | PIRAMAL IMAGING SA (CH) | 2012-12-27 | — | — | US | disclosed |
| US-20120328518-A1 | PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS | PIRAMAL IMAGING SA (CH) | 2012-12-27 | — | — | US | disclosed |