⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16301935 | 0.80 | — | — | |
| SCHEMBL9635511 | 0.79 | — | — | |
| SCHEMBL9636931 | 0.78 | — | — | |
| SCHEMBL17479441 | 0.76 | — | — | |
| SCHEMBL4606704 | 0.74 | — | — | |
| SCHEMBL13772742 | 0.72 | — | — | |
| SCHEMBL14878561 | 0.72 | — | — | |
| SCHEMBL8402041 | 0.71 | HCAR2 (0.36) | — | |
| SCHEMBL11910643 | 0.70 | LCK (0.42) | — | |
| SCHEMBL2291723 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-122038251-A | Preparation method and application of microorganism for producing 1-phenethyl isoquinoline | 中国科学院分子植物科学卓越创新中心 | 2026-05-15 | — | — | CN | disclosed |
| WO-2003059928-A1 | POLYNUCLEOTIDE ENCODING AN AP-2 DOMAIN TRANSCRIPTION FACTOR | AVESTHA GENGRAINE TECHNOLOGIES PVT. LTD. (IN) | 2003-07-24 | — | — | WO | disclosed |