⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6242458 | 0.69 | TSHR (0.44) | — | |
| SCHEMBL14861 | 0.66 | TDP1 (1.00) | — | |
| SCHEMBL20150733 | 0.66 | — | — | |
| SCHEMBL28236221 | 0.66 | TDP1 (1.00) | — | |
| SCHEMBL7862814 | 0.65 | — | — | |
| SCHEMBL21848148 | 0.63 | TSHR (0.37) | — | |
| Hydrochloric Acid SCHEMBL25381110 | 0.62 | TSHR (0.89) | — | |
| SCHEMBL7526385 | 0.62 | TSHR (0.89) | — | |
| Water SCHEMBL2208354 | 0.62 | TSHR (0.89) | — | |
| SCHEMBL10413085 | 0.62 | TSHR (0.89) | — |
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-20170166528-A1 | HIGH HEAT MONOMERS AND METHODS OF USE THEREOF | SHPP GLOBAL TECHNOLOGIES B.V. (NL) | 2017-06-15 | — | — | US | disclosed |