⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27884552 | 0.71 | — | — | |
| SCHEMBL315517 | 0.71 | — | — | |
| SCHEMBL3187920 | 0.71 | — | — | |
| SCHEMBL2580658 | 0.68 | — | — | |
| SCHEMBL8155562 | 0.68 | — | — | |
| SCHEMBL11339091 | 0.68 | — | — | |
| SCHEMBL7644379 | 0.68 | — | — | |
| SCHEMBL10689959 | 0.68 | — | — | |
| SCHEMBL6078579 | 0.68 | — | — | |
| SCHEMBL6356245 | 0.68 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1044197-B1 | PIPERIDINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKYNE CARBOXAMIDES AS CYTOSTATIC AGENTS AND IMMUNOSUPPRESSANTS | ASTELLAS PHARMA GMBH (DE) | 2006-04-19 | — | — | EP | claimed |
| CN-105143171-B | The manufacturing method of tri- caffeoyl guinic acids of 3,4,5- | 富士胶片株式会社 | 2018-07-10 | — | — | CN | disclosed |
| US-3936572-A | Electric cable insulated with a corona resistant polyethylene composition containing a silicon additive | GENERAL ELECTRIC COMPANY (US) | 1976-02-03 | — | — | US | disclosed |