⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL3707184 | 0.97 | TSHR (0.40) | — | |
| Hydrochloric Acid SCHEMBL1499917 | 0.97 | TSHR (0.40) | — | |
| SCHEMBL28783249 | 0.86 | TSHR (0.32) | — | |
| SCHEMBL16700936 | 0.83 | SLC22A1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL28771471 | 0.81 | SLC22A1 (0.39) | — | |
| SCHEMBL240163 | 0.79 | DNM1 (0.50) | — | |
| SCHEMBL3282068 | 0.79 | DNM1 (0.50) | — | |
| SCHEMBL4313259 | 0.79 | DNM1 (0.50) | — | |
| SCHEMBL238533 | 0.79 | DNM1 (0.50) | — | |
| SCHEMBL239715 | 0.79 | DNM1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0008209-B1 | COMPOSITION FOR CLEANING AND SURFACE TREATMENT OF PHONOGRAPH RECORDS AND SIMILAR OBJECTS AND ITS USE | CBS RECORDS APS (DK) | 1982-08-04 | — | — | EP | claimed |
| EP-0405967-A2 | Built liquid detergent compositions | Amway Corporation (US) | 1991-01-02 | — | — | EP | disclosed |