⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10693277 | 0.85 | ABCB1 (0.33) | — | |
| SCHEMBL9666606 | 0.82 | TSHR (0.30) | — | |
| SCHEMBL10688684 | 0.81 | KMT2A (0.31) | — | |
| SCHEMBL10691468 | 0.80 | POLB (0.32) | — | |
| SCHEMBL10696071 | 0.75 | SLC6A1 (0.31) | — | |
| SCHEMBL10691939 | 0.74 | ABCB1 (0.35) | — | |
| SCHEMBL10698080 | 0.69 | PARP1 (0.45) | — | |
| SCHEMBL10691658 | 0.69 | KIF11 (0.40) | — | |
| SCHEMBL9666610 | 0.69 | ABCB1 (0.34) | — | |
| SCHEMBL10688676 | 0.68 | ABCB1 (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-4792559-A | 1,2,3,4-tetrahydroquinoline substituted 5-aminopentanenitrile compounds and their use as calcium modulators | ADIR ET COMPAGNIE (FR) | 1988-12-20 | — | — | US | disclosed |