⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12157374 | 0.65 | — | — | |
| SCHEMBL3265464 | 0.65 | — | — | |
| SCHEMBL10713168 | 0.64 | — | — | |
| SCHEMBL11754026 | 0.61 | — | — | |
| SCHEMBL6203798 | 0.61 | — | — | |
| SCHEMBL8358112 | 0.58 | — | — | |
| SCHEMBL321783 | 0.58 | — | — | |
| SCHEMBL16054564 | 0.56 | — | — | |
| SCHEMBL3374348 | 0.56 | — | — | |
| SCHEMBL5576943 | 0.56 | — | — |
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-0802916-A1 | LOW MOLECULAR WEIGHT BICYCLIC THROMBIN INHIBITORS | BIOCHEM PHARMA INC (CA) | 1997-10-29 | — | — | EP | claimed |
| WO-1996019483-A1 | LOW MOLECULAR WEIGHT BICYCLIC THROMBIN INHIBITORS | BIOCHEM PHARMA INC. (CA) | 1996-06-27 | — | — | WO | claimed |
| EP-1965798-A2 | USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS | Basilea Pharmaceutica AG (CH) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007065288-A2 | USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS | BASILEA PHARMACEUTICA AG (CH) | 2007-06-14 | — | — | WO | disclosed |
| US-4282235-A | Derivatives of thiazolidinecarboxylic acids and related acids | E. R. SQUIBB & SONS, INC. (US) | 1981-08-04 | — | — | US | disclosed |
| US-4237129-A | Derivatives of thiazolidinecarboxylic acids and related acids | E. R. SQUIBB & SONS, INC. (US) | 1980-12-02 | — | — | US | disclosed |
| US-4237134-A | ANGIOTENSIN CONVERTING ENZYME INHIBITORS | E. R. SQUIBB & SONS, INC. (US) | 1980-12-02 | — | — | US | disclosed |
| US-4192878-A | HYPOTENSIVE AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1980-03-11 | — | — | US | disclosed |
| US-4086423-A | CEPHALOSPORINS, CYCLOADDITION OF GLYCINE DERIVATIVE TO THIAZINE COMPOUND | MERCK & CO., INC. (US) | 1978-04-25 | — | — | US | disclosed |