⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9169624 | 0.98 | LMNA (0.41) | — | |
| SCHEMBL3289759 | 0.78 | — | — | |
| SCHEMBL3296119 | 0.75 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL8906308 | 0.74 | LMNA (0.42) | — | |
| SCHEMBL3289898 | 0.74 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL6244223 | 0.74 | LMNA (0.39) | — | |
| SCHEMBL8906298 | 0.74 | LMNA (0.42) | — | |
| SCHEMBL8907250 | 0.73 | — | — | |
| SCHEMBL16411240 | 0.72 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL7023562 | 0.70 | LMNA (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-57064684-A | — | — | None | — | — | JP | disclosed |
| JP-S5764684-A | PREPARATION OF 2-(2'-AMINOETHYLTHIO)-2-THIAZOLINE DIHYDROHALIDE DERIVATIVE | MITSUI TOATSU CHEM INC | 1982-04-19 | — | — | JP | disclosed |