⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21341339 | 0.71 | HMGCR (0.31) | — | |
| SCHEMBL24943825 | 0.61 | — | — | |
| SCHEMBL20691164 | 0.61 | — | — | |
| SCHEMBL20049877 | 0.59 | PDE10A (0.37) | — | |
| SCHEMBL25466578 | 0.58 | — | — | |
| SCHEMBL1702135 | 0.57 | HMGCR (0.36) | — | |
| SCHEMBL18672477 | 0.56 | CYP11B1 (0.35) | — | |
| SCHEMBL19726994 | 0.56 | CDK2 (0.36) | — | |
| SCHEMBL20323545 | 0.56 | CCNA2 (0.33) | — | |
| SCHEMBL20996911 | 0.55 | CYP17A1 (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 |
|---|---|---|---|---|---|---|---|
| US-20200061079-A1 | ISOQUINOLIDINOBENZODIAZEPINE (IQB)-1(CHLOROMETHYL)-2,3-DIHYDRO-1H-BENZO[E]INDOLE (CBI) DIMERS | THE CHEMISTRY RESEARCH SOLUTIONS LLC | 2020-02-27 | — | — | US | disclosed |