⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15104807 | 0.77 | TSHR (0.31) | — | |
| SCHEMBL273377 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL190883 | 0.64 | — | — | |
| SCHEMBL474754 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL703026 | 0.61 | TSHR (0.31) | — | |
| SCHEMBL433792 | 0.61 | TSHR (0.31) | — | |
| SCHEMBL28750259 | 0.61 | — | — | |
| SCHEMBL21049668 | 0.61 | TSHR (0.31) | — | |
| SCHEMBL28604384 | 0.61 | TDP1 (0.31) | — | |
| SCHEMBL9556164 | 0.61 | ALDH1A1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102046700-B | Fixing material comprising silane compound polymer and photonic device sealed body | LINTEC CORP | 2015-03-11 | — | — | CN | disclosed |
| CN-104334629-A | Tread rubber composition and pneumatic tire | SUMITOMO RUBBER IND | 2015-02-04 | — | — | CN | disclosed |
| CN-102432759-A | Conjugated diene polymer, conjugated diene polymer composition, and method for producing conjugated diene polymer | SUMITOMO CHEMICAL CO | 2012-05-02 | — | — | CN | disclosed |
| CN-102046700-A | Fixing material comprising silane compound polymer and photonic device sealed body | LINTEC CORP | 2011-05-04 | — | — | CN | disclosed |
| CN-101472959-A | Ziegler-Natta catalyst with in situ-generated donor | NOVOLEN TECH HOLDINGS CV (NL) | 2009-07-01 | — | — | CN | disclosed |
| CN-1535301-A | Siloxane resins | — | 2004-10-06 | — | — | CN | disclosed |
| US-5858541-A | Glass composite material, precursor thereof, nitrogen-containing composite material and optical device | KABUSHIKI KAISHA TOSHIBA (JP) | 1999-01-12 | — | — | US | disclosed |
| US-5717051-A | Glass composite material, precursor thereof, nitrogen-containing composite material and optical device | KABUSHIKI KAISHA TOSHIBA (JP) | 1998-02-10 | — | — | US | disclosed |