⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30481777 | 0.69 | — | — | |
| SCHEMBL3485407 | 0.67 | — | — | |
| SCHEMBL3263741 | 0.61 | — | — | |
| SCHEMBL5574706 | 0.60 | — | — | |
| SCHEMBL2528894 | 0.60 | ALDH1A1 (0.40) | — | |
| SCHEMBL63337 | 0.59 | CYP3A4 (0.35) | — | |
| SCHEMBL1885673 | 0.58 | TSHR (0.39) | — | |
| SCHEMBL21848028 | 0.58 | TSHR (0.32) | — | |
| SCHEMBL9865572 | 0.57 | CYP3A4 (0.37) | — | |
| SCHEMBL28411257 | 0.57 | TSHR (0.30) | — |
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-1999018138-A1 | PREPARATION AND APPLICATIONS OF FLUORINATED PROPARGYL PHOSPHONATE REAGENTS | UNIVERSITY OF MASSACHUSETTS (US) | 1999-04-15 | — | — | WO | claimed |
| WO-1999018138-A1 | PREPARATION AND APPLICATIONS OF FLUORINATED PROPARGYL PHOSPHONATE REAGENTS | UNIVERSITY OF MASSACHUSETTS (US) | 1999-04-15 | — | — | WO | disclosed |