⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15257505 | 1.00 | — | — | |
| SCHEMBL2898361 | 0.81 | GRM4 (0.59) | — | |
| SCHEMBL26923301 | 0.78 | GRM4 (0.50) | — | |
| SCHEMBL26923345 | 0.78 | GRM4 (0.50) | — | |
| SCHEMBL2904567 | 0.78 | GRM4 (0.50) | — | |
| SCHEMBL19575923 | 0.77 | GRM4 (0.50) | — | |
| Hydrochloric Acid SCHEMBL25393736 | 0.77 | ARG1 (0.49) | — | |
| SCHEMBL31415483 | 0.77 | GRM4 (0.48) | — | |
| Hydrochloric Acid SCHEMBL26923446 | 0.77 | ARG1 (0.49) | — | |
| SCHEMBL31415421 | 0.77 | GRM4 (0.48) | — |
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-7910745-B2 | Organic compound and method for producing radioactive halogen-labeled organic compound using the same | NIHON MEDI-PHYSICS CO., LTD. (JP) | 2011-03-22 | — | — | US | disclosed |
| US-20090105489-A1 | NOVEL ORGANIC COMPOUND AND METHOD FOR PRODUCING RADIOACTIVE HALOGEN-LABELED ORGANIC COMPOUND USING THE SAME | NIHON MEDI-PHYSICS CO. LTD. (JP) | 2009-04-23 | — | — | US | disclosed |