⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13225322 | 0.79 | — | — | |
| SCHEMBL16091003 | 0.74 | KDM4E (0.42) | — | |
| SCHEMBL11287500 | 0.72 | CYP3A4 (0.39) | — | |
| SCHEMBL26958759 | 0.72 | CYP1A2 (0.39) | — | |
| SCHEMBL18360739 | 0.72 | CYP3A4 (0.39) | — | |
| SCHEMBL31016065 | 0.70 | CYP1A2 (0.69) | — | |
| SCHEMBL29607566 | 0.70 | CRHR1 (0.39) | — | |
| SCHEMBL23472180 | 0.69 | ALDH1A1 (0.43) | — | |
| SCHEMBL21894111 | 0.69 | TP53 (0.54) | — | |
| SCHEMBL22971363 | 0.69 | ALDH1A1 (0.39) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103626742-A | Bi-aryl meta-pyrimidine inhibitors of kinases | TARGEGEN INC | 2014-03-12 | — | — | CN | disclosed |