⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2386156 | 1.00 | — | — | |
| Butylamine SCHEMBL8431965 | 0.84 | CA2 (0.33) | — | |
| SCHEMBL18013521 | 0.81 | — | — | |
| SCHEMBL17909994 | 0.80 | SLC7A5 (0.41) | — | |
| SCHEMBL14062501 | 0.80 | SLC7A5 (0.41) | — | |
| SCHEMBL12769953 | 0.80 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL18157220 | 0.80 | — | — | |
| SCHEMBL12769955 | 0.80 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL2686923 | 0.78 | TP53 (0.32) | — | |
| SCHEMBL840126 | 0.78 | TP53 (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110237814-A1 | NOVEL RUTHENIUM CARBONYL COMPLEX HAVING TRIDENTATE LIGAND, ITS PRODUCTION METHOD AND USE | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2011-09-29 | — | — | US | disclosed |
| EP-0269236-B1 | PROCESS FOR SYNTHESIS OF A CHIRAL AZETIDINONE | MERCK & CO. INC. (US) | 1991-04-03 | — | — | EP | disclosed |
| EP-0269236-A1 | Process for synthesis of a chiral azetidinone | MERCK & CO. INC. (US) | 1988-06-01 | — | — | EP | disclosed |