⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25769700 | 0.88 | ALDH1A1 (0.32) | — | |
| SCHEMBL20825580 | 0.83 | ODC1 (0.39) | — | |
| SCHEMBL28580085 | 0.82 | — | — | |
| SCHEMBL18551603 | 0.81 | — | — | |
| SCHEMBL16767873 | 0.77 | — | — | |
| SCHEMBL5611466 | 0.77 | — | — | |
| SCHEMBL19343338 | 0.76 | — | — | |
| SCHEMBL1535731 | 0.75 | LMNA (0.42) | — | |
| SCHEMBL55906 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL38655024 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10816560-B2 | Method for analyzing the ability of a substance to cross a bilayer membrane | Paris Sciences Et Lettres—Quartier Latia (FR) | 2020-10-27 | — | — | US | disclosed |
| US-20190242914-A1 | METHOD FOR ANALYZING THE ABILITY OF A SUBSTANCE TO CROSS A BILAYER MEMBRANE | PARIS SCIENCES ET LETTRES - QUARTIER LATIN (FR) | 2019-08-08 | — | — | US | disclosed |
| US-20180141913-A1 | TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE | EISAI R & D MANAGEMENT CO., LTD. (JP) | 2018-05-24 | — | — | US | disclosed |