⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL908305 | 1.00 | — | — | |
| SCHEMBL907800 | 1.00 | — | — | |
| SCHEMBL485861 | 0.78 | — | — | |
| SCHEMBL6521797 | 0.78 | — | — | |
| SCHEMBL907976 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL28016103 | 0.75 | — | — | |
| SCHEMBL907675 | 0.75 | — | — | |
| SCHEMBL485954 | 0.75 | — | — | |
| SCHEMBL6523651 | 0.75 | — | — | |
| SCHEMBL24516945 | 0.73 | CYP2D6 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110053907-A1 | SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY | AUCKLAND UNISERVICES LIMITED (NZ) | 2011-03-03 | — | — | US | disclosed |