⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29888723 | 1.00 | — | — | |
| SCHEMBL14948561 | 1.00 | — | — | |
| SCHEMBL9765967 | 1.00 | — | — | |
| SCHEMBL1926252 | 1.00 | — | — | |
| SCHEMBL50023 | 1.00 | — | — | |
| Ethane SCHEMBL16390773 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL9545199 | 0.96 | — | — | |
| Methoxymethane SCHEMBL2230632 | 0.90 | TDP1 (0.44) | — | |
| Glycerin SCHEMBL27514435 | 0.90 | LMNA (0.56) | — | |
| Bicarbonate SCHEMBL29012506 | 0.87 | PDE4A (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 |
|---|---|---|---|---|---|---|---|
| EP-3085727-B1 | SILICONE AND USE THEREOF | SHINETSU CHEMICAL CO (JP) | 2017-06-21 | — | — | EP | disclosed |
| US-20170002382-A1 | MICROBIAL ENGINEERING FOR THE PRODUCTION OF CHEMICAL AND PHARMACEUTICAL PRODUCTS FROM THE ISOPRENOID PATHWAY | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2017-01-05 | — | — | US | disclosed |
| EP-2216407-B1 | Therapeutic compositions | ALNYLAM PHARMACEUTICALS INC (US) | 2016-01-13 | — | — | EP | disclosed |
| US-20120190861-A1 | Levodopa Prodrugs, and Compositions and Uses Thereof | XENOPORT, INC. (US) | 2012-07-26 | — | — | US | disclosed |