⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4595716 | 0.79 | — | — | |
| Water SCHEMBL27647075 | 0.76 | — | — | |
| SCHEMBL6259195 | 0.73 | — | — | |
| SCHEMBL5686056 | 0.71 | — | — | |
| SCHEMBL453531 | 0.70 | — | — | |
| SCHEMBL4763745 | 0.70 | — | — | |
| SCHEMBL3512680 | 0.70 | — | — | |
| SCHEMBL8944525 | 0.70 | — | — | |
| SCHEMBL181427 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL11505892 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101611312-A | Method for screening essential metabolites in microbial growth | KOREA INST SCI & TECH (KR) | 2009-12-23 | — | — | CN | claimed |
| CN-101611312-A | Method for screening essential metabolites in microbial growth | KOREA INST SCI & TECH (KR) | 2009-12-23 | — | — | CN | disclosed |
| WO-2005016883-A2 | ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-02-24 | — | — | WO | disclosed |