⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6530005 | 0.86 | — | — | |
| SCHEMBL622143 | 0.77 | — | — | |
| SCHEMBL8190601 | 0.75 | — | — | |
| SCHEMBL7203121 | 0.71 | — | — | |
| SCHEMBL3668737 | 0.70 | — | — | |
| SCHEMBL28241358 | 0.70 | — | — | |
| SCHEMBL9448225 | 0.70 | — | — | |
| SCHEMBL8871847 | 0.70 | — | — | |
| SCHEMBL2108101 | 0.69 | — | — | |
| SCHEMBL3672245 | 0.67 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090247420-A1 | METHOD FOR ENCODING AND SCREENING COMBINATORIAL LIBRARIES | NATIONAL SCIENCE FOUNDATION | 2009-10-01 | — | — | US | disclosed |
| WO-2007070761-A2 | METHOD FOR ENCODING AND SCREENING COMBINATORIAL LIBRARIES | COLORADO SEMINARY, WHICH OWNS AND OPERATES THE UNIVERSITY OF DENVER (US) | 2007-06-21 | — | — | WO | disclosed |
| WO-2006125276-A1 | PHENYLALKANOL COMPOUNDS | ZINGOTX PTY LTD (AU) | 2006-11-30 | — | — | WO | disclosed |
| US-6472488-B2 | MONOMERS CONTAIN THIO-CONTAINING HETEROCYCLES; USE IN MANUFACTURE OF WAVEGUIDES, OPTICAL FIBERS AND SPECTACLE LENSES | ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) | 2002-10-29 | — | — | US | disclosed |
| US-20020049289-A1 | Novel (thio) (meth) acrylate monomers, intermediate compounds for the synthesis of these monomers polymerizable compositions and polymers obtained, and their optical and ophthalmic uses | ESSILOR COMPAGNIE GENERALE D'OPTIQUE | 2002-04-25 | — | — | US | disclosed |
| US-6307062-B1 | E.G., METHACRYLIC ESTER OF 1,4-DITHIACYCLOHEPTANE | ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) | 2001-10-23 | — | — | US | disclosed |