⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23773501 | 0.72 | — | — | |
| SCHEMBL20457 | 0.69 | — | — | |
| SCHEMBL8549806 | 0.69 | — | — | |
| SCHEMBL15946378 | 0.69 | — | — | |
| SCHEMBL17584832 | 0.69 | — | — | |
| SCHEMBL21400267 | 0.68 | TDP1 (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL6738777 | 0.67 | — | — | |
| SCHEMBL1584663 | 0.67 | — | — | |
| SCHEMBL36467 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL28914936 | 0.67 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0414903-A1 | NEW THIOPROLINE DERIVATIVE | KABUSHIKI KAISHA YAKULT HONSHA (JP) | 1991-03-06 | — | — | EP | claimed |
| WO-2020056232-A1 | COMBINATION THERAPY FOR THE TREATMENT OF PROSTATE CANCER | ATTWELL SARAH CHRISTINE (CA) | 2020-03-19 | — | — | WO | disclosed |
| EP-0733046-B1 | BENZOYL GUANIDINES, THEIR PRODUCTION AND THEIR USE IN MEDICAMENTS | BOEHRINGER INGELHEIM PHARMA (DE) | 2001-06-27 | — | — | EP | disclosed |
| EP-0726899-B1 | NOVEL PYRAZINE CARBOXAMIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE IN MEDICAMENTS | BOEHRINGER INGELHEIM PHARMA (DE) | 2000-01-19 | — | — | EP | disclosed |
| US-5783576-A | Benzoyl guanidine derivatives, the preparation thereof and their use in pharmaceutical compositions | BOEHRINGER INGELHEIM KG (DE) | 1998-07-21 | — | — | US | disclosed |
| WO-1995012592-A1 | NOVEL PYRAZINE CARBOXAMIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE IN MEDICAMENTS | BOEHRINGER INGELHEIM KG (DE) | 1995-05-11 | — | — | WO | disclosed |
| WO-1995012584-A1 | NOVEL BENZOYL GUANIDINES, THEIR PRODUCTION AND THEIR USE IN MEDICAMENTS | BOEHRINGER INGELHEIM KG (DE) | 1995-05-11 | — | — | WO | disclosed |
| EP-0414903-A1 | NEW THIOPROLINE DERIVATIVE | KABUSHIKI KAISHA YAKULT HONSHA (JP) | 1991-03-06 | — | — | EP | disclosed |
| US-4587250-A | HYPOTENSIVE AGENTS | LUITPOLD-WERK CHEMISCHPHARMAZEUTISCHE FABRIK GMBH & CO. (DE) | 1986-05-06 | — | — | US | disclosed |