⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9052729 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL216203 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL216644 | 0.86 | EPHX1 (0.31) | — | |
| SCHEMBL6443592 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL218174 | 0.65 | — | — | |
| SCHEMBL5558990 | 0.63 | NAAA (0.40) | — | |
| Hydrochloric Acid SCHEMBL2114847 | 0.62 | NAAA (0.39) | — | |
| Hydrochloric Acid SCHEMBL2116992 | 0.62 | NAAA (0.39) | — | |
| SCHEMBL5342347 | 0.62 | THRB (0.38) | — | |
| SCHEMBL5339913 | 0.57 | ALDH1A1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6184327-B1 | AS THERMOPLASTIC ELASTOMER | EXXON CHEMICAL PATENTS, INC. | 2001-02-06 | — | — | US | disclosed |