⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28271276 | 1.00 | — | — | |
| SCHEMBL29613896 | 0.83 | NOS3 (0.32) | — | |
| SCHEMBL4443923 | 0.82 | — | — | |
| SCHEMBL10613669 | 0.78 | TSHR (0.50) | — | |
| SCHEMBL2448552 | 0.78 | — | — | |
| SCHEMBL16037424 | 0.78 | ALDH1A1 (0.41) | — | |
| SCHEMBL29011574 | 0.78 | ALDH1A1 (0.48) | — | |
| SCHEMBL3169488 | 0.78 | — | — | |
| SCHEMBL623824 | 0.76 | — | — | |
| SCHEMBL18677023 | 0.76 | — | — |
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-3048628-A | — | — | None | — | — | JP | disclosed |
| JP-H0348628-A | COATING AGENT AND/OR RETARDER FOR MEDICINE-SHAPED PRODUCT FOR THERAPEUTIC ACTIVE SUBSTANCE AND FOR FOOD AND FANCY ARTICLE | ROEHM GMBH | 1991-03-01 | — | — | JP | disclosed |