⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26928537 | 0.79 | TSHR (0.33) | — | |
| SCHEMBL9772128 | 0.69 | — | — | |
| SCHEMBL29044844 | 0.62 | — | — | |
| SCHEMBL8384552 | 0.62 | CYP1A2 (0.40) | — | |
| SCHEMBL20134670 | 0.61 | — | — | |
| SCHEMBL7906653 | 0.61 | GABRA1 (0.30) | — | |
| SCHEMBL26114626 | 0.61 | — | — | |
| SCHEMBL26115380 | 0.61 | — | — | |
| SCHEMBL15540854 | 0.61 | — | — | |
| SCHEMBL22347210 | 0.60 | HSD11B1 (0.33) | — |
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-3011025-A | — | — | None | — | — | JP | disclosed |
| JP-H0311025-A | FLUORINE-CONTAINING ALICYCLIC ALCOHOL COMPOUND, DERIVATIVE AND PRODUCTION THEREOF | MITSUI PETROCHEM IND LTD | 1991-01-18 | — | — | JP | disclosed |