⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL15859339 | 0.84 | — | — | |
| Butane SCHEMBL15859371 | 0.80 | — | — | |
| Butane SCHEMBL11044595 | 0.76 | — | — | |
| Butane SCHEMBL2470336 | 0.74 | TSHR (0.50) | — | |
| Butane SCHEMBL8628663 | 0.74 | TSHR (0.50) | — | |
| Butane SCHEMBL3593 | 0.74 | — | — | |
| Butane SCHEMBL1734106 | 0.74 | — | — | |
| Butane SCHEMBL9292387 | 0.74 | TSHR (0.50) | — | |
| Alcohol SCHEMBL3741843 | 0.74 | — | — | |
| Butane SCHEMBL11344587 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109422881-A | Containing the isocyanurate-modified organic siliconresin of epoxy group, photosensitive resin composition, photo-conductive film, laminated body and pattern forming method | 信越化学工业株式会社 | 2019-03-05 | — | — | CN | disclosed |
| US-8945527-B2 | Degradable compounds and methods of use thereof, particularly with particle replication in non-wetting templates | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2015-02-03 | — | — | US | disclosed |
| US-20110123446-A1 | DEGRADABLE COMPOUNDS AND METHODS OF USE THEREOF, PARTICULARLY WITH PARTICLE REPLICATION IN NON-WETTING TEMPLATES | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL | 2011-05-26 | — | — | US | disclosed |
| WO-2009132265-A2 | DEGRADABLE COMPOUNDS AND METHODS OF USE THEREOF, PARTICULARLY WITH PARTICLE REPLICATION IN NON-WETTING TEMPLATES | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2009-10-29 | — | — | WO | disclosed |