⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7670360 | 0.80 | ESR1 (0.38) | — | |
| SCHEMBL10248786 | 0.75 | IDO1 (0.48) | — | |
| SCHEMBL5672968 | 0.75 | IDO1 (0.48) | — | |
| SCHEMBL12374395 | 0.73 | ALDH1A1 (0.50) | — | |
| SCHEMBL10570 | 0.70 | ALDH1A1 (0.52) | — | |
| SCHEMBL25471464 | 0.69 | TRPA1 (0.43) | — | |
| SCHEMBL462327 | 0.69 | SLC6A4 (0.54) | — | |
| SCHEMBL14392748 | 0.69 | CYP3A4 (0.41) | — | |
| SCHEMBL21507936 | 0.69 | ESR1 (0.31) | — | |
| SCHEMBL21875041 | 0.69 | TRPV4 (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009145721-A1 | ISOINDOLINE DERIVATIVES COMPRISING PHENYL GROUPS AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS | ASTRAZENECA AB (SE) | 2009-12-03 | — | — | WO | disclosed |
| WO-2009145719-A1 | ISOINDOLINE DERIVATIVES COMPRISING A CYANO GROUP AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS | ASTRAZENECA AB (SE) | 2009-12-03 | — | — | WO | disclosed |
| WO-2009145718-A1 | ISOINDOLINE DERIVATIVES COMPRISING AN ADDITIONAL HETEROCYCLIC GROUP AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS | ASTRAZENECA AB (SE) | 2009-12-03 | — | — | WO | disclosed |