⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26092373 | 0.86 | BLM (0.31) | — | |
| SCHEMBL25836666 | 0.73 | L3MBTL1 (0.49) | — | |
| SCHEMBL2786983 | 0.72 | BRS3 (0.32) | — | |
| SCHEMBL4286857 | 0.70 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL894472 | 0.70 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL9515698 | 0.69 | L3MBTL1 (0.36) | — | |
| SCHEMBL163221 | 0.69 | BLM (0.47) | — | |
| SCHEMBL59405 | 0.69 | BLM (0.47) | — | |
| SCHEMBL28455493 | 0.69 | BLM (0.33) | — | |
| SCHEMBL59406 | 0.69 | BLM (0.47) | — |
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-100364978-C | Composition, process of making, and medical use of substituted 4-phenyltetrahydroisoquinolines | AVENTIS PHARMA GMBH (DE) | 2008-01-30 | — | — | CN | disclosed |
| CN-1798737-A | Composition, process of making, and medical use of substituted 4-phenyltetrahydroisoquinolines | AVENTIS PHARMA GMBH (DE) | 2006-07-05 | — | — | CN | disclosed |