⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12386921 | 0.88 | NOS3 (0.44) | — | |
| SCHEMBL18902548 | 0.82 | — | — | |
| SCHEMBL22300894 | 0.81 | — | — | |
| SCHEMBL14470872 | 0.80 | — | — | |
| SCHEMBL10873449 | 0.78 | — | — | |
| SCHEMBL347594 | 0.73 | — | — | |
| SCHEMBL16572529 | 0.71 | TSHR (0.41) | — | |
| SCHEMBL15672003 | 0.71 | — | — | |
| SCHEMBL5691374 | 0.69 | CYP1A2 (0.48) | — | |
| SCHEMBL19125511 | 0.69 | NOS3 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8063165-B2 | Functional polymers prepared with sulfur-containing initiators | BRIDGESTONE CORPORATION (US) | 2011-11-22 | — | — | US | claimed |
| US-20080308204-A1 | FUNCTIONAL POLYMERS PREPARED WITH SULFUR-CONTAINING INITIATORS | BRIDGESTONE CORPORATION (JP) | 2008-12-18 | — | — | US | claimed |
| US-20150105252-A1 | SUBSTITUTED PYRAZOLES AS HERBICIDES | E. I. DU PONT DE NEMOURS AND COMPANY | 2015-04-16 | — | — | US | disclosed |
| US-8362181-B2 | Functional polymers prepared with sulfur-containing initiators | BRIDGESTONE CORPORATION (JP) | 2013-01-29 | — | — | US | disclosed |
| US-20120016096-A1 | FUNCTIONAL POLYMERS PREPARED WITH SULFUR-CONTAINING INITIATORS | BRIDGESTONE CORPORATION | 2012-01-19 | — | — | US | disclosed |
| US-8063165-B2 | Functional polymers prepared with sulfur-containing initiators | BRIDGESTONE CORPORATION (US) | 2011-11-22 | — | — | US | disclosed |
| EP-1797111-B1 | ACYLSULFONAMIDE COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE | SCHERING CORP (US) | 2011-06-22 | — | — | EP | disclosed |
| US-20080308204-A1 | FUNCTIONAL POLYMERS PREPARED WITH SULFUR-CONTAINING INITIATORS | BRIDGESTONE CORPORATION (JP) | 2008-12-18 | — | — | US | disclosed |