⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8674278 | 1.00 | ALDH1A1 (0.35) | — | |
| SCHEMBL4633342 | 1.00 | — | — | |
| SCHEMBL125861 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL5310524 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL9709014 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL9709009 | 0.96 | — | — | |
| SCHEMBL13547390 | 0.83 | — | — | |
| Acetic Acid SCHEMBL10583204 | 0.83 | FFAR3 (0.37) | — | |
| Succinic Acid SCHEMBL7149007 | 0.81 | LMNA (0.45) | — | |
| SCHEMBL74076 | 0.79 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9359378-B2 | Substituted oxazolo[3,4-a]pyrazines as pharmaceutcals | BIOLAB SANUS FARMACEUTICA LTDA. (BR) | 2016-06-07 | — | — | US | disclosed |
| WO-2012064850-A1 | LIQUID-GAS INTERFACE MEDIATED MOLECULE MANIPULATION | ANDREGG MICHAEL (US) | 2012-05-18 | — | — | WO | disclosed |
| EP-2103619-A1 | IMIDAZOTHIAZOLE DERIVATIVES | Daiichi Sankyo Company, Limited (JP) | 2009-09-23 | — | — | EP | disclosed |
| WO-2009097578-A1 | OXIM DERIVATIVES AS HSP90 INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-08-06 | — | — | WO | disclosed |
| EP-1930335-A1 | Cephalosporines having cyclic aminoguanidine substituents as Antibiotics | Nabriva Therapeutics AG (AT) | 2008-06-11 | — | — | EP | disclosed |
| US-6440957-B1 | Cephalosporines having cyclic aminoguanidine substituents as antibiotics | BIOCHEMIE GESELLSCHAFT M.B.H. (AT) | 2002-08-27 | — | — | US | disclosed |
| EP-1082326-A1 | CEPHALOSPORINES HAVING CYCLIC AMINOGUANIDINE SUBSTITUENTS AS ANTIBIOTICS | BIOCHEMIE Gesellschaft m.b.H. (AT) | 2001-03-14 | — | — | EP | disclosed |
| WO-1999048896-A1 | CEPHALOSPORINES HAVING CYCLIC AMINOGUANIDINE SUBSTITUENTS AS ANTIBIOTICS | BIOCHEMIE GESELLSCHAFT MBH (AT) | 1999-09-30 | — | — | WO | disclosed |