⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12461300 | 0.81 | — | — | |
| SCHEMBL26277194 | 0.80 | MAPK1 (0.31) | — | |
| SCHEMBL21163667 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL17874894 | 0.78 | MAPK1 (0.35) | — | |
| SCHEMBL14753791 | 0.74 | — | — | |
| SCHEMBL24901922 | 0.73 | CYP1A2 (0.35) | — | |
| SCHEMBL12889635 | 0.72 | MAPK1 (0.52) | — | |
| SCHEMBL2152830 | 0.72 | MAPK1 (0.52) | — | |
| SCHEMBL22195279 | 0.72 | — | — | |
| SCHEMBL22847884 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20190046690-A9 | MATERIALS WITH IMPROVED PROPERTIES | THE CHILDREN'S MEDICAL CENTER CORPORATION | 2019-02-14 | — | — | US | disclosed |
| US-20180117216-A1 | MATERIALS WITH IMPROVED PROPERTIES | MASSACHUSETTS INST TECHNOLOGY (US) | 2018-05-03 | — | — | US | disclosed |