⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL966787 | 0.83 | TSHR (0.33) | — | |
| SCHEMBL10942220 | 0.80 | TSHR (0.47) | — | |
| SCHEMBL576278 | 0.80 | TSHR (0.47) | — | |
| SCHEMBL12773076 | 0.78 | — | — | |
| SCHEMBL2683186 | 0.77 | TSHR (0.45) | — | |
| Hydrogen Sulfide SCHEMBL2683183 | 0.77 | TSHR (0.45) | — | |
| SCHEMBL113363 | 0.77 | — | — | |
| SCHEMBL13500459 | 0.77 | CYP3A4 (0.36) | — | |
| SCHEMBL14752380 | 0.77 | CTSL (0.36) | — | |
| SCHEMBL576659 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5557029-A | ADDITION OF HCL OR ORGANIC CHLORIDE TO PREVENT DEACTIVATION OF CATALYST BY SULFUR IMPURITIES | PHILLIPS PETROLEUM COMPANY (US) | 1996-09-17 | — | — | US | claimed |
| US-5557029-A | ADDITION OF HCL OR ORGANIC CHLORIDE TO PREVENT DEACTIVATION OF CATALYST BY SULFUR IMPURITIES | PHILLIPS PETROLEUM COMPANY (US) | 1996-09-17 | — | — | US | disclosed |