⚠ 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 | |
|---|---|---|---|---|
| O-Xylene SCHEMBL11033471 | 0.95 | TSHR (1.00) | — | |
| O-Xylene SCHEMBL29385454 | 0.95 | — | — | |
| O-Xylene SCHEMBL11034038 | 0.95 | TSHR (1.00) | — | |
| O-Xylene SCHEMBL2854068 | 0.95 | — | — | |
| O-Xylene SCHEMBL11035539 | 0.95 | TSHR (1.00) | — | |
| O-Xylene SCHEMBL772 | 0.95 | — | — | |
| O-Xylene SCHEMBL170581 | 0.95 | TSHR (1.00) | — | |
| O-Xylene SCHEMBL10522915 | 0.95 | TSHR (1.00) | — | |
| O-Xylene SCHEMBL8216257 | 0.95 | TSHR (1.00) | — | |
| O-Xylene SCHEMBL6898695 | 0.95 | TSHR (1.00) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110218456-A | Cyclohexyl LED encapsulation material and preparation method thereof | 广东信翼科技有限公司 | 2019-09-10 | — | — | CN | disclosed |
| CN-108431004-A | Heterocyclic compounds | 武田药品工业株式会社 | 2018-08-21 | — | — | CN | disclosed |
| CN-105017966-B | OVPOSS is crosslinked fluorine silicon block copolymer ultraviolet curable coating and preparation and application | 天津大学 | 2017-06-16 | — | — | CN | disclosed |
| CN-106316994-A | Method for preparing and separating 2,5-diformylfuran (DFF) and 2,5-dihydroxymethylfuran (DHMF) simultaneously | 复旦大学 | 2017-01-11 | — | — | CN | disclosed |
| CN-100354283-C | Covalently fixed non-metallocenes, method for the production thereof and their use for polymerizing olefins | CELANESE VENTURES GMBH (DE) | 2007-12-12 | — | — | CN | disclosed |
| CN-1642962-A | Covalently bound non-metallocenes, method for the production thereof and use thereof in the polymerization of olefins | CELANESE VENTURES GMBH (DE) | 2005-07-20 | — | — | CN | disclosed |
| US-5723071-A | Bake-hardenable solution for forming a conductive coating | THOMSON CONSUMER ELECTRONICS, INC. (US) | 1998-03-03 | — | — | US | disclosed |