⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12731161 | 0.85 | CA1 (0.32) | — | |
| SCHEMBL5070859 | 0.74 | MGAM (0.30) | — | |
| SCHEMBL13448106 | 0.70 | — | — | |
| SCHEMBL12236948 | 0.69 | — | — | |
| SCHEMBL19448119 | 0.69 | — | — | |
| SCHEMBL16026520 | 0.67 | — | — | |
| SCHEMBL15451670 | 0.67 | — | — | |
| SCHEMBL7905390 | 0.66 | — | — | |
| SCHEMBL8791311 | 0.66 | HLCS (0.38) | — | |
| SCHEMBL24133341 | 0.65 | — | — |
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 16 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-20100173851-A1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED | 2010-07-08 | — | — | US | disclosed |
| US-7396900-B2 | Thiourethane-based optical material | MITSUI CHEMICALS, INC. (JP) | 2008-07-08 | — | — | US | disclosed |
| US-20080045480-A1 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INCORPORATED | 2008-02-21 | — | — | US | disclosed |
| US-20070292933-A1 | Inhibitors of serine proteases, particular HCV NS3-NS4A protease | PITLIK JANOS | 2007-12-20 | — | — | US | disclosed |
| CN-100343299-C | Thiourethane-based optical material | MITSUI CHEMICALS INC (JP) | 2007-10-17 | — | — | CN | disclosed |
| US-7273885-B2 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-09-25 | — | — | US | disclosed |
| US-7244808-B2 | Thiourethane-based optical material | MITSUI CHEMICALS, INC. (JP) | 2007-07-17 | — | — | US | disclosed |
| US-7241796-B2 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INC. (US) | 2007-07-10 | — | — | US | disclosed |
| US-20070149822-A1 | Thiourethane-based optical material | MITSUI CHEMICALS, INC. (JP) | 2007-06-28 | — | — | US | disclosed |
| US-7208600-B2 | Inhibitors of serine proteases, particularly HCV NS3-NS4A proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-04-24 | — | — | 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 |