⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7732112 | 0.85 | GAA (0.32) | — | |
| SCHEMBL21433588 | 0.79 | — | — | |
| SCHEMBL29013004 | 0.79 | SOAT1 (0.33) | — | |
| SCHEMBL16173769 | 0.76 | GAA (0.30) | — | |
| SCHEMBL27338241 | 0.76 | — | — | |
| SCHEMBL1548667 | 0.76 | — | — | |
| SCHEMBL27364953 | 0.75 | POLB (0.32) | — | |
| SCHEMBL28882620 | 0.74 | — | — | |
| SCHEMBL27338480 | 0.74 | ALDH1A1 (0.33) | — | |
| Water SCHEMBL28429694 | 0.73 | POLB (0.31) | — |
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-9636356-B2 | Nanoparticle compositions of antibacterial compounds and other uses thereof | JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) | 2017-05-02 | — | — | US | disclosed |
| US-20150238521-A1 | NANOPARTICLE COMPOSITIONS OF ANTIBACTERIAL COMPOUNDS AND OTHER USES THEREOF | JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) | 2015-08-27 | — | — | US | disclosed |
| WO-2014006601-A2 | NANOPARTICLE COMPOSITIONS OF ANTIBACTERIAL COMPOUNDS AND OTHER USES THEREOF | JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) | 2014-01-09 | — | — | WO | disclosed |