⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14745732 | 1.00 | — | — | |
| SCHEMBL14757112 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL14745531 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL14745529 | 0.81 | — | — | |
| SCHEMBL18628149 | 0.79 | EDNRB (0.35) | — | |
| SCHEMBL14745587 | 0.74 | TSHR (0.31) | — | |
| SCHEMBL18628153 | 0.71 | EDNRB (0.36) | — | |
| SCHEMBL17495163 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL17495045 | 0.69 | — | — | |
| SCHEMBL17495060 | 0.69 | PARP1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2750678-B1 | ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE | PTC THERAPEUTICS INC (US) | 2017-03-22 | — | — | EP | disclosed |
| US-20150038438-A1 | ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE | PTC THERAPEUTICS, INC. | 2015-02-05 | — | — | US | disclosed |
| EP-2750678-A1 | ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE | PTC Therapeutics, Inc. (US) | 2014-07-09 | — | — | EP | disclosed |
| WO-2013033228-A1 | ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE | PTC THERAPEUTICS, INC. (US) | 2013-03-07 | — | — | WO | disclosed |