⚠ 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL9861598 | 0.88 | NPSR1 (0.36) | — | |
| Sulfuric Acid SCHEMBL9290734 | 0.88 | NPSR1 (0.36) | — | |
| SCHEMBL11406977 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL11409292 | 0.81 | GRIN2D (0.30) | — | |
| SCHEMBL9290965 | 0.74 | — | — | |
| SCHEMBL7852752 | 0.73 | — | — | |
| SCHEMBL4098667 | 0.73 | CA12 (0.39) | — | |
| SCHEMBL9290865 | 0.72 | ALDH1A1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL8641411 | 0.72 | — | — | |
| SCHEMBL11071506 | 0.71 | — | — |
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-0327919-B1 | METHOD AND AGENTS FOR PREVENTING STAINING OF TEETH | THE ROCKEFELLER UNIVERSITY (US) | 1993-09-15 | — | — | EP | claimed |
| US-5128122-A | Nitrogen compound | THE ROCKEFELLER UNIVERSITY (US) | 1992-07-07 | — | — | US | claimed |