⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL35181 | 0.97 | — | — | |
| SCHEMBL30693690 | 0.97 | ABCB11 (0.36) | — | |
| SCHEMBL5656842 | 0.94 | — | — | |
| SCHEMBL10465114 | 0.84 | ALDH1A1 (0.43) | — | |
| Propionic Acid SCHEMBL27921404 | 0.82 | FFAR3 (0.48) | — | |
| Valeric Acid SCHEMBL27939879 | 0.73 | AKR1B1 (0.50) | — | |
| SCHEMBL35854 | 0.73 | — | — | |
| SCHEMBL10602861 | 0.73 | NOS3 (0.44) | — | |
| SCHEMBL35180 | 0.69 | — | — | |
| SCHEMBL186708 | 0.69 | CA1 (0.36) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2947116-B1 | CHEMICALLY FUNCTIONALIZED RENEWED RUBBER COMPOSITION | LEHIGH TECH INC (US) | 2023-03-08 | — | — | EP | disclosed |
| US-10227421-B2 | Chemically functionalized renewed rubber composition | LEHIGH TECHNOLOGIES, INC. (US) | 2019-03-12 | — | — | US | disclosed |
| US-20170114155-A1 | CHEMICALLY FUNCTIONALIZED RENEWED RUBBER COMPOSITION | LEHIGH TECHNOLOGIES, INC. (US) | 2017-04-27 | — | — | US | disclosed |
| US-9598564-B2 | Chemically functionalized renewed rubber composition | LEHIGH TECHNOLOGIES, INC. (US) | 2017-03-21 | — | — | US | disclosed |
| US-9574069-B2 | Chemically functionalized renewed rubber composition | LEHIGH TECHNOLOGIES, INC. (US) | 2017-02-21 | — | — | US | disclosed |
| US-20160152805-A1 | CHEMICALLY FUNCTIONALIZED RENEWED RUBBER COMPOSITION | LEHIGH TECHNOLOGIES, INC. (US) | 2016-06-02 | — | — | US | disclosed |
| EP-2947116-A2 | CHEMICALLY FUNCTIONALIZED RENEWED RUBBER COMPOSITION | Lehigh Technologies, Inc. (US) | 2015-11-25 | — | — | EP | disclosed |
| US-20150315363-A1 | CHEMICALLY FUNCTIONALIZED RENEWED RUBBER COMPOSITION | LEHIGH TECHNOLOGIES, INC. (US) | 2015-11-05 | — | — | US | disclosed |