⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29391746 | 0.98 | — | — | |
| SCHEMBL1532288 | 0.87 | SLC22A2 (0.31) | — | |
| SCHEMBL29128753 | 0.85 | SLC22A2 (0.30) | — | |
| SCHEMBL29056348 | 0.85 | SLC22A2 (0.30) | — | |
| Hydrochloric Acid SCHEMBL29004524 | 0.85 | CA12 (0.30) | — | |
| Hydrochloric Acid SCHEMBL29004526 | 0.83 | — | — | |
| Water SCHEMBL29073159 | 0.82 | — | — | |
| SCHEMBL4202258 | 0.68 | NOS3 (0.32) | — | |
| SCHEMBL7961756 | 0.67 | NOS3 (0.32) | — | |
| SCHEMBL4198862 | 0.65 | NOS3 (0.34) | — |
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-6187928-B1 | TREATING FUNGAL DISEASES | THE ROCKEFELLER UNIVERSITY | 2001-02-13 | — | — | US | disclosed |
| US-6087510-A | Method of use of imidazolium cations | THE ROCKEFELLER UNIVERSITY (US) | 2000-07-11 | — | — | US | disclosed |
| US-5874587-A | FLUORESCENCE | THE ROCKEFELLER UNIVERSITY (US) | 1999-02-23 | — | — | US | disclosed |