⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12258200 | 0.86 | TDP1 (0.53) | — | |
| SCHEMBL14400112 | 0.81 | — | — | |
| SCHEMBL104058 | 0.81 | — | — | |
| SCHEMBL13283544 | 0.81 | — | — | |
| SCHEMBL6796119 | 0.80 | TSHR (0.44) | — | |
| SCHEMBL9431819 | 0.79 | — | — | |
| SCHEMBL12258211 | 0.77 | CYP2C19 (0.45) | — | |
| Formaldehyde SCHEMBL2638163 | 0.77 | TDP1 (0.43) | — | |
| SCHEMBL9736245 | 0.77 | TDP1 (0.43) | — | |
| SCHEMBL20838323 | 0.77 | TSHR (0.46) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120277266-A1 | Hepatitis C Virus Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2012-11-01 | — | — | US | disclosed |
| US-8211928-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-07-03 | — | — | US | disclosed |
| US-8143414-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-27 | — | — | US | disclosed |
| US-8093427-B2 | Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid | NATIONAL TSING HUA UNIVERSITY (TW) | 2012-01-10 | — | — | US | disclosed |
| US-20110306668-A1 | CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID | NATIONAL TSING HUA UNIVERSITY (TW) | 2011-12-15 | — | — | US | disclosed |
| US-20110130433-A1 | Hepatitis C Virus Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2011-06-02 | — | — | US | disclosed |
| US-20110098327-A1 | Hepatitis C Virus Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2011-04-28 | — | — | US | disclosed |
| US-20090048448-A1 | SALTS OF CYNNAMIDE COMPOUND OR SOLVATES THEREOF | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2009-02-19 | — | — | US | disclosed |
| EP-1953151-A1 | SALTS OF CYNNAMIDE COMPOUND OR SOLVATES THEREOF | Eisai R&D Management Co., Ltd. (JP) | 2008-08-06 | — | — | EP | disclosed |
| US-5358949-A | Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-10-25 | — | — | US | disclosed |
| EP-0236140-A2 | Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1987-09-09 | — | — | EP | disclosed |