⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16975344 | 1.00 | — | — | |
| SCHEMBL16975217 | 0.93 | NPC1 (0.38) | — | |
| SCHEMBL16975241 | 0.86 | ABL1 (0.34) | — | |
| SCHEMBL16975230 | 0.86 | NPC1 (0.41) | — | |
| SCHEMBL16975277 | 0.86 | NPC1 (0.41) | — | |
| SCHEMBL16975224 | 0.85 | MAPT (0.39) | — | |
| SCHEMBL16975288 | 0.84 | NPC1 (0.40) | — | |
| SCHEMBL16975471 | 0.84 | NPC1 (0.40) | — | |
| SCHEMBL16975238 | 0.84 | KDM4E (0.37) | — | |
| SCHEMBL16975234 | 0.84 | KDM4E (0.37) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170007615-A1 | Antibacterial Compounds | SPERO GYRASE, INC. | 2017-01-12 | — | — | US | claimed |
| EP-3102203-A2 | ANTIBACTERIAL COMBINATIONS COMPRISING POLYMYXIN | SPERO GYRASE, INC. (US) | 2016-12-14 | — | — | EP | claimed |
| WO-2015114452-A2 | ANTIBACTERIAL COMPOUNDS | BIOTA EUROPE LTD (GB) | 2015-08-06 | — | — | WO | claimed |
| US-20170007615-A1 | Antibacterial Compounds | SPERO GYRASE, INC. | 2017-01-12 | — | — | US | disclosed |
| EP-3102203-A2 | ANTIBACTERIAL COMBINATIONS COMPRISING POLYMYXIN | SPERO GYRASE, INC. (US) | 2016-12-14 | — | — | EP | disclosed |
| WO-2015114452-A2 | ANTIBACTERIAL COMPOUNDS | BIOTA EUROPE LTD (GB) | 2015-08-06 | — | — | WO | disclosed |