⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18624751 | 0.69 | CYP1A2 (0.34) | — | |
| SCHEMBL4416366 | 0.68 | CYP1A2 (0.38) | — | |
| SCHEMBL19700360 | 0.66 | CA12 (0.46) | — | |
| SCHEMBL12048931 | 0.65 | CA12 (0.50) | — | |
| SCHEMBL12251549 | 0.65 | INPP5A (0.31) | — | |
| SCHEMBL18643153 | 0.65 | — | — | |
| SCHEMBL12453244 | 0.63 | INPP5A (0.33) | — | |
| SCHEMBL13105239 | 0.62 | CA1 (0.48) | — | |
| SCHEMBL14730379 | 0.62 | ALDH1A1 (0.31) | — | |
| SCHEMBL24448967 | 0.62 | CA12 (0.31) | — |
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-20170073334-A1 | SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2017-03-16 | — | — | US | disclosed |