⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6085363 | 0.90 | TBXA2R (0.39) | — | |
| SCHEMBL6084704 | 0.88 | ALDH1A1 (0.41) | — | |
| SCHEMBL6084752 | 0.85 | ALDH1A1 (0.32) | — | |
| SCHEMBL6085993 | 0.82 | PTGS1 (0.35) | — | |
| SCHEMBL7099597 | 0.79 | KDM4E (0.44) | — | |
| SCHEMBL6085022 | 0.78 | TBXA2R (0.41) | — | |
| SCHEMBL6085069 | 0.75 | TBXA2R (0.39) | — | |
| SCHEMBL6085559 | 0.74 | CNR2 (0.36) | — | |
| SCHEMBL27162285 | 0.74 | LPAR2 (0.33) | — | |
| SCHEMBL6086678 | 0.73 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7019149-B2 | Thromboxane ligands without blood clotting side effects | ALLERGAN, INC. (US) | 2006-03-28 | — | — | US | disclosed |
| US-20050049300-A1 | Thromboxane ligands without blood clotting side effects | ALLERGAN SALES, INC. | 2005-03-03 | — | — | US | disclosed |
| US-20030109571-A1 | Thromboxane ligands without blood clotting side effects | ALLERGAN SALES, INC. | 2003-06-12 | — | — | US | disclosed |
| US-5516791-A | VISION DEFECTS FOR TREATMENT OF HYPERTENSION OF EYES | ALLERGAN (US) | 1996-05-14 | — | — | US | disclosed |