⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL465433 | 0.78 | — | — | |
| SCHEMBL10617265 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL29199480 | 0.74 | — | — | |
| SCHEMBL829716 | 0.73 | — | — | |
| SCHEMBL3628799 | 0.72 | — | — | |
| SCHEMBL757022 | 0.72 | — | — | |
| SCHEMBL11143758 | 0.71 | TRPV1 (0.32) | — | |
| SCHEMBL5720326 | 0.70 | — | — | |
| SCHEMBL16295693 | 0.70 | — | — | |
| SCHEMBL1164837 | 0.67 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103260652-B | CEST system exhibiting concentration-independent responsiveness | 伯拉考成像股份公司 | 2016-10-12 | — | — | CN | disclosed |
| CN-103260652-A | CEST system exhibiting concentration-independent responsiveness | BRACCO IMAGING SPA | 2013-08-21 | — | — | CN | disclosed |
| US-20010034333-A1 | Cyclodextrin polymer compositions for use as drug carriers | KOSAK KENNETH M (US) | 2001-10-25 | — | — | US | disclosed |
| EP-0307084-B1 | Substituted thieno(2,3-b)thiophene-2-sulfonamides as antiglaucoma agents | MERCK & CO INC (US) | 1993-12-15 | — | — | EP | disclosed |
| US-4894390-A | VISION DEFECTS | MERCK & CO., INC. (US) | 1990-01-16 | — | — | US | disclosed |
| EP-0307084-A1 | Substituted thieno(2,3-b)thiophene-2-sulfonamides as antiglaucoma agents | MERCK & CO. INC. (US) | 1989-03-15 | — | — | EP | disclosed |
| US-4806562-A | Substituted thieno[2,3-b]thiophene-2-sulfonamides as antiglaucoma agents | MERCK & CO., INC. (US) | 1989-02-21 | — | — | US | disclosed |