⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19266629 | 0.77 | NOS3 (0.31) | — | |
| SCHEMBL13568058 | 0.75 | — | — | |
| SCHEMBL16769255 | 0.75 | — | — | |
| SCHEMBL10063297 | 0.75 | — | — | |
| SCHEMBL2531786 | 0.74 | — | — | |
| SCHEMBL2406714 | 0.73 | PTPN1 (0.32) | — | |
| SCHEMBL12663038 | 0.73 | PTPN1 (0.32) | — | |
| SCHEMBL13575184 | 0.71 | TAAR1 (0.33) | — | |
| SCHEMBL14147580 | 0.70 | — | — | |
| SCHEMBL10357223 | 0.65 | — | — |
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-9217005-B2 | Ruthenium-diamine complexes and method for producing optically active compounds | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2015-12-22 | — | — | US | disclosed |
| US-20130158276-A1 | RUTHENIUM-DIAMINE COMPLEXES AND METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUNDS | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2013-06-20 | — | — | US | disclosed |