⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL8520483 | 1.00 | — | — | |
| SCHEMBL1357459 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL10338074 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL10621694 | 0.94 | — | — | |
| Phosphoric Acid SCHEMBL28062389 | 0.88 | TSHR (0.48) | — | |
| SCHEMBL27748579 | 0.82 | LPAR3 (0.45) | — | |
| O,O-Diethyl S-Hydrogen Phosphorothioate SCHEMBL8429419 | 0.81 | PPARD (0.39) | — | |
| Water SCHEMBL27844263 | 0.80 | LPAR3 (0.43) | — | |
| Water SCHEMBL27768083 | 0.80 | LPAR3 (0.43) | — | |
| Water SCHEMBL27849281 | 0.80 | LPAR3 (0.43) | — |
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-11181469-A | — | — | None | — | — | JP | disclosed |
| JP-H11181469-A | COLD-ROLLING OIL | SUMITOMO METAL IND LTD | 1999-07-06 | — | — | JP | disclosed |