⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL82455 | 0.97 | — | — | |
| SCHEMBL30482581 | 0.95 | — | — | |
| SCHEMBL29127320 | 0.95 | — | — | |
| SCHEMBL5596103 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL17005900 | 0.95 | — | — | |
| SCHEMBL9517333 | 0.95 | — | — | |
| SCHEMBL692818 | 0.95 | — | — | |
| Naphthalene SCHEMBL11343213 | 0.89 | DAO (0.83) | — | |
| Carbamic Acid SCHEMBL8959472 | 0.87 | DAO (0.79) | — | |
| Formamide SCHEMBL28332093 | 0.87 | DAO (0.79) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20130072899-A1 | Pharmaceutical Formulations for Iontophoretic Delivery of Gallium | Nitric BloTherapeutics, Inc. (US) | 2013-03-21 | — | — | US | disclosed |
| WO-2009155321-A1 | PHARMACEUTICAL FORMULATIONS FOR IONTOPHORETIC DELIVERY OF GALLIUM | TRANSPORT PHARMACEUTICALS, INC. (US) | 2009-12-23 | — | — | WO | disclosed |