⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11391912 | 1.00 | — | — | |
| SCHEMBL9534260 | 1.00 | — | — | |
| SCHEMBL13825859 | 0.84 | MAPT (0.42) | — | |
| SCHEMBL2464131 | 0.84 | MAPT (0.52) | — | |
| SCHEMBL2464133 | 0.84 | MAPT (0.52) | — | |
| SCHEMBL211077 | 0.79 | — | — | |
| SCHEMBL6157933 | 0.76 | — | — | |
| SCHEMBL8869650 | 0.75 | — | — | |
| SCHEMBL21654218 | 0.75 | — | — | |
| SCHEMBL10925589 | 0.75 | — | — |
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-8283368-B2 | Selective ligands for the dopamine 3 (D3) receptor and methods of using the same | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2012-10-09 | — | — | US | disclosed |
| US-5187288-A | Electrically neutral, photostable, narrow absorption and emission spectra | MOLECULAR PROBES, INC. (US) | 1993-02-16 | — | — | US | disclosed |