⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL4929424 | 1.00 | — | — | |
| SCHEMBL1803560 | 0.97 | — | — | |
| SCHEMBL16036784 | 0.97 | — | — | |
| SCHEMBL148222 | 0.97 | — | — | |
| Adamantane SCHEMBL28691081 | 0.86 | CYP2C9 (0.30) | — | |
| Adamantane SCHEMBL932765 | 0.82 | CYP2C9 (0.32) | — | |
| Adamantane SCHEMBL1931599 | 0.82 | CYP2C9 (0.32) | — | |
| SCHEMBL27120209 | 0.82 | — | — | |
| Methane SCHEMBL27660775 | 0.78 | — | — | |
| SCHEMBL21808370 | 0.77 | ALDH1A1 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7622526-B2 | Thermoset material based on antiplasticizing polythiourethane and ophthalmic lens comprising an antiplasticized thermoset material | ESSILOR INTERNATIONAL (FR) | 2009-11-24 | — | — | US | claimed |
| EP-1670852-B1 | THERMOSETTING MATERIAL BASED ON ANTIPLASTICIZED POLYTHIOURETHANE, AND OPHTHALMIC LENS COMPRISING AN ANTIPLASTICIZED THERMOSETTING MATERIAL | ESSILOR INT (FR) | 2008-12-10 | — | — | EP | claimed |
| US-7622526-B2 | Thermoset material based on antiplasticizing polythiourethane and ophthalmic lens comprising an antiplasticized thermoset material | ESSILOR INTERNATIONAL (FR) | 2009-11-24 | — | — | US | disclosed |
| US-20060270771-A1 | Thermoset material based on antiplasticizing polythiourethane and ophthalmic lens comprising an antiplasticized thermoset material | ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) | 2006-11-30 | — | — | US | disclosed |