⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1726065 | 0.73 | — | — | |
| SCHEMBL1726303 | 0.67 | — | — | |
| SCHEMBL235461 | 0.62 | — | — | |
| SCHEMBL9773557 | 0.62 | — | — | |
| SCHEMBL670674 | 0.62 | — | — | |
| SCHEMBL1726461 | 0.60 | TSHR (0.33) | — | |
| SCHEMBL235304 | 0.60 | TSHR (0.33) | — | |
| SCHEMBL2354536 | 0.58 | — | — | |
| SCHEMBL5894218 | 0.58 | — | — | |
| SCHEMBL1046273 | 0.58 | — | — |
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-10298186-A | — | — | None | — | — | JP | disclosed |
| JP-H10298186-A | PRODUCTION OF OPTICALLY ACTIVE DEUTERATED COMPOUND | WAKO PURE CHEM IND LTD | 1998-11-10 | — | — | JP | disclosed |