⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL569588 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL8593625 | 0.97 | — | — | |
| Ethylene SCHEMBL11567185 | 0.94 | — | — | |
| Acrylamide SCHEMBL9809596 | 0.88 | ALDH1A1 (0.61) | — | |
| Glutarate SCHEMBL31083839 | 0.80 | SLC22A6 (0.50) | — | |
| Acetoacetic Acid SCHEMBL28280616 | 0.80 | POLB (0.41) | — | |
| SCHEMBL1942945 | 0.79 | — | — | |
| SCHEMBL883819 | 0.79 | — | — | |
| SCHEMBL29736504 | 0.78 | — | — | |
| SCHEMBL9391076 | 0.76 | — | — |
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-6350746-B1 | FACTOR XA ENZYME INHIBITORS | BERLEX LABORATORIES, INC. | 2002-02-26 | — | — | US | disclosed |
| US-6034103-A | THROMBOSIS THERAPY | BERLEX LABORATORIES, INC. (US) | 2000-03-07 | — | — | US | disclosed |
| US-5889005-A | Benzamidine derivatives and their use for treating thrombotic diseases | BERLEX LABORATORIES, INC. (US) | 1999-03-30 | — | — | US | disclosed |
| US-5883100-A | Benzamidine derivatives and their use as anti-coagulants | BERLEX LABORATORIES, INC. (US) | 1999-03-16 | — | — | US | disclosed |
| US-5877181-A | Benzamidine derivatives and their use as anti-coagulants | BERLEX LABORATORIES, INC. (US) | 1999-03-02 | — | — | US | disclosed |
| US-5691364-A | Benzamidine derivatives and their use as anti-coagulants | BERLEX LABORATORIES, INC. (US) | 1997-11-25 | — | — | US | disclosed |