⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28950 | 0.97 | — | — | |
| SCHEMBL28188291 | 0.93 | — | — | |
| Sulfuric Acid SCHEMBL3390874 | 0.93 | CA5A (0.40) | — | |
| SCHEMBL27541517 | 0.93 | — | — | |
| SCHEMBL9438163 | 0.93 | — | — | |
| SCHEMBL9309058 | 0.93 | — | — | |
| SCHEMBL199343 | 0.93 | — | — | |
| SCHEMBL9113124 | 0.93 | — | — | |
| SCHEMBL28006682 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL28213776 | 0.90 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0724436-B1 | USE OF NITRIC OXIDE-ADDUCTS TO PREVENT THROMBOSIS ON ARTIFICIAL AND VASCULAR SURFACES | BRIGHAM & WOMENS HOSPITAL (US) | 2004-01-07 | — | — | EP | claimed |
| CN-115697945-A | Method for industrial production of granulated fertilizer | 费尔蒂纳格罗生物技术有限公司 | 2023-02-03 | — | — | CN | disclosed |
| WO-1996028458-A1 | SURFACTANT COMPOSITIONS WITH ANTI-MICROBIAL EFFECT | CASTROL LIMITED (GB) | 1996-09-19 | — | — | WO | disclosed |