⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1093727 | 0.85 | ALDH1A1 (0.32) | — | |
| SCHEMBL19932615 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL1094086 | 0.82 | ALDH1A1 (0.31) | — | |
| SCHEMBL19019190 | 0.80 | LMNA (0.50) | — | |
| SCHEMBL21989951 | 0.80 | LMNA (0.35) | — | |
| SCHEMBL24736823 | 0.78 | — | — | |
| SCHEMBL83545 | 0.78 | — | — | |
| SCHEMBL599054 | 0.77 | TSHR (0.48) | — | |
| SCHEMBL17607563 | 0.76 | — | — | |
| SCHEMBL13033918 | 0.76 | OPRM1 (0.40) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2009541575-A | — | — | 2009-11-26 | — | — | JP | claimed |
| EP-2035466-A1 | A PROCESS TO PRODUCE A HYDROCARBON RUBBER CEMENT UTILIZING A HYDROFLUOROCARBON DILUENT | ExxonMobil Chemical Patents Inc. (US) | 2009-03-18 | — | — | EP | claimed |
| WO-2008002352-A1 | A PROCESS TO PRODUCE A HYDROCARBON RUBBER CEMENT UTILIZING A HYDROFLUOROCARBON DILUENT | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2008-01-03 | — | — | WO | claimed |