⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20901381 | 0.83 | — | — | |
| SCHEMBL14239618 | 0.77 | — | — | |
| SCHEMBL17115165 | 0.77 | — | — | |
| SCHEMBL20860747 | 0.65 | — | — | |
| SCHEMBL11990715 | 0.61 | — | — | |
| SCHEMBL11990722 | 0.61 | — | — | |
| SCHEMBL19041809 | 0.60 | — | — | |
| SCHEMBL13178071 | 0.59 | — | — | |
| SCHEMBL12658837 | 0.59 | — | — | |
| SCHEMBL20494745 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017146128-A1 | IMIDAZOLYLAMIDE DERIVATIVE | 大日本住友製薬株式会社 | 2017-08-31 | — | — | WO | disclosed |
| WO-2007141473-A1 | N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS | ASTRAZENECA AB (SE) | 2007-12-13 | — | — | WO | disclosed |