⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23736331 | 0.75 | THRB (0.35) | — | |
| SCHEMBL11267078 | 0.73 | MAPK1 (0.35) | — | |
| SCHEMBL6609553 | 0.72 | — | — | |
| SCHEMBL17678920 | 0.72 | ALDH1A1 (0.38) | — | |
| SCHEMBL2738725 | 0.72 | — | — | |
| SCHEMBL3439787 | 0.72 | ALDH1A1 (0.38) | — | |
| SCHEMBL28646938 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL35821 | 0.69 | — | — | |
| SCHEMBL16168465 | 0.69 | — | — | |
| SCHEMBL14300811 | 0.69 | — | — |
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-10114715-A | — | — | None | — | — | JP | disclosed |
| JP-H10114715-A | PRODUCTION OF TERT-BUTOXYCARBONYL CHLORIDE | NIPPON SODA CO LTD | 1998-05-06 | — | — | JP | disclosed |