⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10060439 | 0.75 | KDM4E (0.40) | — | |
| SCHEMBL1923566 | 0.75 | TDP1 (0.39) | — | |
| SCHEMBL303902 | 0.75 | NPC1 (0.40) | — | |
| SCHEMBL19797822 | 0.75 | GAA (0.47) | — | |
| SCHEMBL2331241 | 0.75 | JUN (0.30) | — | |
| SCHEMBL3712918 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL1585973 | 0.72 | LOXL2 (0.41) | — | |
| SCHEMBL459457 | 0.70 | — | — | |
| SCHEMBL1923559 | 0.70 | MEN1 (0.33) | — | |
| SCHEMBL11145787 | 0.70 | PIN1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012086735-A1 | CONDENSED HETEROCYCLIC COMPOUND | 大正製薬株式会社 (JP) | 2012-06-28 | — | — | WO | disclosed |