⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5175056 | 0.83 | — | — | |
| SCHEMBL1248824 | 0.82 | — | — | |
| SCHEMBL83492 | 0.82 | — | — | |
| SCHEMBL8813593 | 0.73 | — | — | |
| SCHEMBL23069503 | 0.72 | — | — | |
| SCHEMBL28057845 | 0.72 | — | — | |
| SCHEMBL7872900 | 0.72 | — | — | |
| SCHEMBL57015 | 0.72 | — | — | |
| SCHEMBL1723477 | 0.69 | — | — | |
| SCHEMBL6552468 | 0.69 | — | — |
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-0719839-B1 | Phthalocyanine compounds and optical recording media comprising them | MITSUI CHEMICALS INC (JP) | 2001-07-25 | — | — | EP | disclosed |
| US-4755598-A | 1'-(substituted)ethyl-7β-[2-(2-aminothiazol-4-yl)acetamido]-3-[[[1-(2-dimethylaminoethyl)-1H-tetrazol-5-yl]thio]methyl]ceph-3-em-4-carboxylate derivatives having antibacterial utility | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1988-07-05 | — | — | US | disclosed |