⚠ 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 | |
|---|---|---|---|---|
| Diethyl Hydrogen Phosphate SCHEMBL28191043 | 0.77 | TSHR (0.48) | — | |
| SCHEMBL1618533 | 0.75 | — | — | |
| SCHEMBL6871138 | 0.74 | TSHR (0.50) | — | |
| SCHEMBL7570559 | 0.73 | — | — | |
| Diethyl Hydrogen Phosphate SCHEMBL29009468 | 0.70 | TSHR (0.50) | — | |
| Ethylene SCHEMBL17060515 | 0.70 | TSHR (0.50) | — | |
| Ethylene SCHEMBL790436 | 0.70 | — | — | |
| SCHEMBL5777397 | 0.70 | — | — | |
| SCHEMBL15541645 | 0.70 | PPARD (0.39) | — | |
| SCHEMBL40792 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6812231-B2 | INHIBITING ACTIVATED BLOOD-COAGULATION FACTOR X | AJINOMOTO CO., INC. (JP) | 2004-11-02 | — | — | US | claimed |
| US-20020107290-A1 | Benzamidine derivative | AJINOMOTO CO., INC. (JP) | 2002-08-08 | — | — | US | claimed |
| US-6410538-B2 | ANTICOAGULANT OR AN AGENT FOR TREATING OR PREVENTING THROMBI OR EMBOLI | AJINOMOTO CO., INC. (JP) | 2002-06-25 | — | — | US | claimed |
| US-20010056123-A1 | Anticoagulant or an agent for treating or preventing thrombi or emboli | AJINOMOTO CO., INC (JP) | 2001-12-27 | — | — | US | claimed |
| US-6812231-B2 | INHIBITING ACTIVATED BLOOD-COAGULATION FACTOR X | AJINOMOTO CO., INC. (JP) | 2004-11-02 | — | — | US | disclosed |
| US-20020107290-A1 | Benzamidine derivative | AJINOMOTO CO., INC. (JP) | 2002-08-08 | — | — | US | disclosed |
| US-6410538-B2 | ANTICOAGULANT OR AN AGENT FOR TREATING OR PREVENTING THROMBI OR EMBOLI | AJINOMOTO CO., INC. (JP) | 2002-06-25 | — | — | US | disclosed |
| US-20010056123-A1 | Anticoagulant or an agent for treating or preventing thrombi or emboli | AJINOMOTO CO., INC (JP) | 2001-12-27 | — | — | US | disclosed |
| EP-1086946-A1 | BENZAMIDINE DERIVATIVE | Ajinomoto Co., Inc. (JP) | 2001-03-28 | — | — | EP | disclosed |