⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9152549 | 1.00 | — | — | |
| SCHEMBL2539106 | 1.00 | — | — | |
| SCHEMBL27661982 | 0.83 | ALDH1A1 (0.43) | — | |
| SCHEMBL28488125 | 0.80 | ALDH1A1 (0.37) | — | |
| SCHEMBL6131644 | 0.79 | — | — | |
| SCHEMBL15452901 | 0.79 | — | — | |
| SCHEMBL29086980 | 0.79 | ALDH1A1 (0.30) | — | |
| SCHEMBL29088013 | 0.79 | ALDH1A1 (0.40) | — | |
| SCHEMBL28702800 | 0.79 | ALDH1A1 (0.43) | — | |
| SCHEMBL17857686 | 0.78 | ALDH1A1 (0.38) | — |
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-9650395-B2 | Antibacterial compounds and methods for use | PTC THERAPEUTICS, INC. (US) | 2017-05-16 | — | — | US | disclosed |
| US-9409905-B2 | Antibacterial compounds and methods for use | PTC THERAPEUTICS, INC. (US) | 2016-08-09 | — | — | US | disclosed |
| US-20150080362-A1 | ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE | PTC THERAPEUTICS, INC. (US) | 2015-03-19 | — | — | US | disclosed |
| US-20150038437-A1 | ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE | PTC THERAPEUTICS, INC. (US) | 2015-02-05 | — | — | US | disclosed |