⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1630931 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL28723819 | 0.77 | AOC1 (0.50) | — | |
| SCHEMBL839793 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL271613 | 0.76 | CA12 (0.48) | — | |
| Hydrochloric Acid SCHEMBL30443745 | 0.76 | CA12 (0.48) | — | |
| SCHEMBL21540857 | 0.74 | AOC1 (0.53) | — | |
| SCHEMBL14361044 | 0.72 | PTGS1 (0.37) | — | |
| SCHEMBL20866789 | 0.72 | KDM4C (0.45) | — | |
| SCHEMBL11915501 | 0.72 | CA12 (0.35) | — | |
| SCHEMBL1043517 | 0.72 | KDM4C (0.46) | — |
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-103958504-A | Novel inhibitor compounds of phosphodiesterase type 10a | ABBVIE GMBH & CO KG | 2014-07-30 | — | — | CN | disclosed |