⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8019530 | 0.78 | — | — | |
| SCHEMBL18395866 | 0.78 | — | — | |
| SCHEMBL643454 | 0.78 | — | — | |
| SCHEMBL643455 | 0.76 | — | — | |
| SCHEMBL538268 | 0.74 | — | — | |
| SCHEMBL370810 | 0.74 | HCAR2 (0.39) | — | |
| SCHEMBL2705194 | 0.74 | HCAR2 (0.39) | — | |
| SCHEMBL370883 | 0.74 | HCAR2 (0.39) | — | |
| SCHEMBL18396324 | 0.74 | HTT (0.31) | — | |
| SCHEMBL29155 | 0.74 | — | — |
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-5339454-A | — | — | None | — | — | JP | disclosed |
| JP-H05339454-A | VINYL CHLORIDE-BASED RESIN COMPOSITION | SEKISUI CHEM CO LTD | 1993-12-21 | — | — | JP | disclosed |