⚠ 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 | |
|---|---|---|---|---|
| Propynoic Acid Ethyl Ester SCHEMBL125800 | 0.97 | — | — | |
| Propynoic Acid Ethyl Ester SCHEMBL7967456 | 0.95 | ALDH1A1 (0.42) | — | |
| Propynoic Acid Ethyl Ester SCHEMBL27430542 | 0.95 | — | — | |
| Propynoic Acid Ethyl Ester SCHEMBL28774918 | 0.95 | — | — | |
| Propynoic Acid Ethyl Ester SCHEMBL30405100 | 0.95 | — | — | |
| Propynoic Acid Ethyl Ester SCHEMBL8472125 | 0.95 | — | — | |
| Propynoic Acid Ethyl Ester SCHEMBL6642135 | 0.92 | ALDH1A1 (0.43) | — | |
| Propynoic Acid Ethyl Ester SCHEMBL28262379 | 0.90 | ALDH1A1 (0.42) | — | |
| Propynoic Acid Ethyl Ester SCHEMBL28671067 | 0.88 | FFAR3 (0.46) | — | |
| Propynoic Acid Ethyl Ester SCHEMBL7967449 | 0.88 | ALDH1A1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1102766-B1 | TRIAZOLOPYRIDINES FOR THE TREATMENT OF THROMBOSIS DISORDERS | ORTHO MCNEIL PHARM INC (US) | 2004-03-31 | — | — | EP | disclosed |
| US-6303625-B1 | FIBRINOGEN RECEPTOR ANTAGONISTS WHICH INHIBIT PLATELET AGGREGATION AND ARE USEFUL IN TREATING THROMBOTIC DISORDERS | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2001-10-16 | — | — | US | disclosed |
| EP-1102766-A1 | TRIAZOLOPYRIDINES FOR THE TREATMENT OF THROMBOSIS DISORDERS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2001-05-30 | — | — | EP | disclosed |
| US-6191145-B1 | ANTICOAGULANTS; ANTIINFLAMMATORY AGENTS | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2001-02-20 | — | — | US | disclosed |
| EP-1028943-A2 | ORALLY-ACTIVE NIPECOTAMIDE GLYCOLAMIDE ESTERS FOR THE TREATMENT OF THROMBOSIS DISORDERS | Ortho-Mcneil Pharmaceutical, Inc. (US) | 2000-08-23 | — | — | EP | disclosed |
| US-6066651-A | ANTITHROMBOTIC AGENTS BY VIRTUE OF THEIR ABILITY TO PREVENT PLATELET AGGREGATION | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2000-05-23 | — | — | US | disclosed |
| WO-2000006570-A1 | TRIAZOLOPYRIDINES FOR THE TREATMENT OF THROMBOSIS DISORDERS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2000-02-10 | — | — | WO | disclosed |
| WO-1999021832-A2 | ORALLY-ACTIVE NIPECOTAMIDE GLYCOLAMIDE ESTERS FOR THE TREATMENT OF THROMBOSIS DISORDERS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 1999-05-06 | — | — | WO | disclosed |