⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8504067 | 1.00 | — | — | |
| SCHEMBL5548980 | 0.84 | ALDH1A1 (0.36) | — | |
| SCHEMBL5548982 | 0.84 | ALDH1A1 (0.36) | — | |
| SCHEMBL7612173 | 0.82 | SOAT1 (0.34) | — | |
| SCHEMBL27525255 | 0.79 | FAAH (0.31) | — | |
| SCHEMBL10595745 | 0.79 | ALDH1A1 (0.41) | — | |
| SCHEMBL1598833 | 0.79 | ALDH1A1 (0.41) | — | |
| SCHEMBL14883634 | 0.78 | — | — | |
| SCHEMBL469873 | 0.77 | — | — | |
| SCHEMBL5697682 | 0.77 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4525174-A | Method and fuel composition for control of octane requirement increase | UNION OIL COMPANY OF CALIFORNIA (US) | 1985-06-25 | — | — | US | claimed |
| US-8846023-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-09-30 | — | — | US | disclosed |
| EP-2049522-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2014-05-14 | — | — | EP | disclosed |
| US-8642025-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-02-04 | — | — | US | disclosed |
| US-20140017195-A1 | Hepatitis C Virus Inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2014-01-16 | — | — | US | disclosed |
| US-8574563-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-11-05 | — | — | US | disclosed |
| US-20130034520-A1 | Hepatitis C Virus Inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-02-07 | — | — | US | disclosed |
| US-20130004457-A1 | Hepatitis C Virus Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2013-01-03 | — | — | US | disclosed |
| US-20100158862-A1 | Hepatitis C Virus Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2010-06-24 | — | — | US | disclosed |
| CN-101643672-A | Gas phase combustion method and composition | WILLIAM C ORR US | 2010-02-10 | — | — | CN | disclosed |
| EP-0879224-A4 | NOVEL POLY(MONOPEROXYCARBONATES) | ATOCHEM NORTH AMERICA ELF (US) | 1999-05-26 | — | — | EP | disclosed |
| EP-0879224-A1 | NOVEL POLY(MONOPEROXYCARBONATES) | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1998-11-25 | — | — | EP | disclosed |
| CN-1195367-A | Gas phase combustion process and composition II | WILLIAM C ORR (US) | 1998-10-07 | — | — | CN | disclosed |
| WO-1998007684-A1 | NOVEL POLY(MONOPEROXYCARBONATES) | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1998-02-26 | — | — | WO | disclosed |
| WO-1991000301-A1 | (CO)POLYMER MODIFICATION EMPLOYING UNSATURATED t-ALKYL PEROXYALKENYL CARBONATES | AKZO N.V. (NL) | 1991-01-10 | — | — | WO | disclosed |
| US-4659853-A | Process for the production of isothiocyanate derivatives | AMERICAN CYANAMID COMPANY (US) | 1987-04-21 | — | — | US | disclosed |
| US-4525174-A | Method and fuel composition for control of octane requirement increase | UNION OIL COMPANY OF CALIFORNIA (US) | 1985-06-25 | — | — | US | disclosed |
| US-4376731-A | 2-NITRILES THEREOF | BOEHRINGER MANNHEIM GMBH (DE) | 1983-03-15 | — | — | US | disclosed |