⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26981020 | 0.79 | SLC22A6 (0.50) | — | |
| SCHEMBL35751 | 0.76 | — | — | |
| SCHEMBL8681203 | 0.73 | — | — | |
| SCHEMBL6365087 | 0.73 | — | — | |
| SCHEMBL28428313 | 0.73 | — | — | |
| SCHEMBL9321629 | 0.73 | — | — | |
| SCHEMBL8679147 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL9321596 | 0.73 | — | — | |
| SCHEMBL10416322 | 0.73 | — | — | |
| SCHEMBL15789511 | 0.73 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2975023-B1 | GUANIDINOBENZOIC ACID ESTER COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2018-05-30 | — | — | EP | disclosed |
| US-9969709-B2 | Guanidinobenzoic acid ester compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-05-15 | — | — | US | disclosed |
| US-20160031847-A1 | GUANIDINOBENZOIC ACID ESTER COMPOUND | ASTELLAS PHARMA INC. (JP) | 2016-02-04 | — | — | US | disclosed |
| EP-2975023-A1 | GUANIDINOBENZOIC ACID ESTER COMPOUND | Astellas Pharma Inc. (JP) | 2016-01-20 | — | — | EP | disclosed |
| EP-0876161-B1 | CONTRAST MEDIA | NYCOMED SALUTAR INC (US) | 2001-11-21 | — | — | EP | disclosed |
| EP-0876161-A2 | CONTRAST MEDIA | NYCOMED SALUTAR, INC. (US) | 1998-11-11 | — | — | EP | disclosed |
| WO-1997026921-A2 | CONTRAST MEDIA | NYCOMED SALUTAR INC. (US) | 1997-07-31 | — | — | WO | disclosed |