⚠ 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 | |
|---|---|---|---|---|
| Ethyl Hydrogen Phosphonate SCHEMBL2776370 | 0.81 | — | — | |
| Phosphonic Acid SCHEMBL1191339 | 0.79 | CA12 (0.39) | — | |
| SCHEMBL363038 | 0.78 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL9435729 | 0.76 | CHRM1 (0.31) | — | |
| Phosphonic Acid SCHEMBL6418796 | 0.76 | CHRM2 (0.33) | — | |
| Phosphonic Acid SCHEMBL6062761 | 0.76 | CHRM2 (0.33) | — | |
| Phosphonic Acid SCHEMBL10708037 | 0.74 | — | — | |
| Phosphonic Acid SCHEMBL3793734 | 0.73 | ALDH1A1 (0.33) | — | |
| Phosphonic Acid SCHEMBL7230 | 0.73 | — | — | |
| Phosphonic Acid SCHEMBL8445453 | 0.73 | ALDH1A1 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7893109-B2 | N,N-dihalogenated amino acids and derivatives | NOVABAY PHARMACEUTICALS, INC. (US) | 2011-02-22 | — | — | US | claimed |
| US-20090023812-A1 | N,N-DIHALOGENATED AMINO ACIDS AND DERIVATIVES | NOVABAY PHARMACEUTICALS, INC. | 2009-01-22 | — | — | US | claimed |
| US-20140227201-A1 | Antimicrobial Gel Formulations | NOVABAY PHARMACEUTICALS, INC. | 2014-08-14 | — | — | US | disclosed |
| US-20100076089-A1 | ANTIMICROBIAL GEL FORMULATIONS | NOVABAY PHARMACEUTICALS, INC. | 2010-03-25 | — | — | US | disclosed |