⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11864767 | 0.86 | CA1 (0.34) | — | |
| SCHEMBL16079935 | 0.82 | — | — | |
| SCHEMBL17034414 | 0.82 | — | — | |
| SCHEMBL13078358 | 0.80 | NOS3 (0.32) | — | |
| SCHEMBL14217451 | 0.76 | — | — | |
| SCHEMBL13434410 | 0.76 | — | — | |
| SCHEMBL10020688 | 0.76 | CYP2C9 (0.31) | — | |
| SCHEMBL347594 | 0.71 | — | — | |
| SCHEMBL5068766 | 0.67 | NOS3 (0.31) | — | |
| SCHEMBL13207489 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019004012-A1 | COMPOSITION FOR DYEING KERATIN FIBERS | L'OREAL (FR) | 2019-01-03 | — | — | WO | claimed |
| WO-2019004012-A1 | COMPOSITION FOR DYEING KERATIN FIBERS | L'OREAL (FR) | 2019-01-03 | — | — | WO | disclosed |
| EP-1505094-B1 | THIOURETHANE-BASED OPTICAL MATERIAL | MITSUI CHEMICALS INC (JP) | 2014-01-22 | — | — | EP | disclosed |
| US-7829571-B2 | Cyclic derivatives as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-11-09 | — | — | US | disclosed |
| US-7776884-B2 | Cyclic derivatives as modulators of chemokine receptors activity | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-08-17 | — | — | US | disclosed |
| US-7572813-B2 | Cyclic amide derivative as monocyte chemotactic protein modulator; prevention and treatment of rheumatoid arthritis, multiple sclerosis, atherosclerosis and asthma; antiinflammatory agents; N-[2-[[(cis) -2-[[1- (4-Chlorophenyl)ethyl]amino]cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-08-11 | — | — | US | disclosed |
| US-20090124668-A1 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY | 2009-05-14 | — | — | US | disclosed |
| US-7396900-B2 | Thiourethane-based optical material | MITSUI CHEMICALS, INC. (JP) | 2008-07-08 | — | — | US | disclosed |
| US-7378409-B2 | Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-05-27 | — | — | US | disclosed |
| CN-100343299-C | Thiourethane-based optical material | MITSUI CHEMICALS INC (JP) | 2007-10-17 | — | — | CN | disclosed |
| US-7244808-B2 | Thiourethane-based optical material | MITSUI CHEMICALS, INC. (JP) | 2007-07-17 | — | — | US | disclosed |
| US-20070149822-A1 | Thiourethane-based optical material | MITSUI CHEMICALS, INC. (JP) | 2007-06-28 | — | — | US | disclosed |
| US-7163937-B2 | Cyclic derivatives as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-01-16 | — | — | US | disclosed |
| US-20050131203-A1 | Thiourethane-based optical material | MITSUI CHEMICALS, INC. (JP) | 2005-06-16 | — | — | US | disclosed |
| EP-1505094-A1 | THIOURETHANE-BASED OPTICAL MATERIAL | Mitsui Chemicals, Inc. (JP) | 2005-02-09 | — | — | EP | disclosed |
| CN-1578798-A | Thiourethane-based optical material | MITSUI CHEMICALS INC (JP) | 2005-02-09 | — | — | CN | disclosed |
| US-5102777-A | Immersion solution consists of a solvent, amine and fatty acid , corrosion and chemical resistance to underlying metal layer | ARDROX INC. (US) | 1992-04-07 | — | — | US | disclosed |
| US-3932317-A | AMMONIA, SURFACTANTS, SULFOLANES | PHILLIPS PETROLEUM COMPANY (US) | 1976-01-13 | — | — | US | disclosed |