⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18435277 | 0.81 | — | — | |
| SCHEMBL14837071 | 0.76 | TSHR (0.33) | — | |
| Bromide SCHEMBL28597019 | 0.74 | TSHR (0.32) | — | |
| Hydrochloric Acid SCHEMBL11295210 | 0.74 | ABCC3 (0.34) | — | |
| Iodide SCHEMBL14837000 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL17743104 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL22771632 | 0.73 | SIGMAR1 (0.38) | — | |
| SCHEMBL19004022 | 0.73 | TSHR (0.31) | — | |
| SCHEMBL7112734 | 0.72 | — | — | |
| SCHEMBL18723829 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021127333-A1 | TRPML MODULATORS | CASMA THERAPEUTICS, INC. (US) | 2021-06-24 | — | — | WO | disclosed |
| WO-2021127328-A1 | TRPML MODULATORS | CASMA THERAPEUTICS, INC. (US) | 2021-06-24 | — | — | WO | disclosed |