⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27618964 | 0.78 | — | — | |
| SCHEMBL5403668 | 0.78 | — | — | |
| SCHEMBL29295631 | 0.76 | ALDH1A1 (0.43) | — | |
| SCHEMBL30523 | 0.75 | TRIM24 (0.45) | — | |
| SCHEMBL9109245 | 0.75 | TRIM24 (0.45) | — | |
| SCHEMBL27755725 | 0.75 | TRIM24 (0.45) | — | |
| SCHEMBL543180 | 0.75 | TRIM24 (0.50) | — | |
| SCHEMBL6016083 | 0.75 | TRIM24 (0.50) | — | |
| SCHEMBL9225514 | 0.75 | TRIM24 (0.55) | — | |
| SCHEMBL29096262 | 0.75 | TRIM24 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2454237-A1 | 3-0X0-2, 3, -DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES WITH SELECTIVE PARP-1 INHIBITION | Nerviano Medical Sciences S.r.l. (IT) | 2012-05-23 | — | — | EP | disclosed |