⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21099399 | 0.79 | — | — | |
| SCHEMBL20670953 | 0.75 | — | — | |
| SCHEMBL25999369 | 0.75 | — | — | |
| SCHEMBL21657037 | 0.75 | — | — | |
| SCHEMBL15944409 | 0.75 | — | — | |
| SCHEMBL11823349 | 0.75 | — | — | |
| SCHEMBL3651726 | 0.75 | NOS3 (0.39) | — | |
| SCHEMBL29382337 | 0.72 | — | — | |
| SCHEMBL7487 | 0.72 | — | — | |
| SCHEMBL9784696 | 0.72 | NOS3 (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2970345-B1 | 18F-LABELED PSMA-TARGETED PET IMAGING AGENTS | CANCER TARGETED TECH LLC (US) | 2019-06-19 | — | — | EP | disclosed |
| US-5399488-A | Kidneys | NITTO BOSEKI CO., LTD. (JP) | 1995-03-21 | — | — | US | disclosed |