⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28783593 | 0.82 | MAPT (0.48) | — | |
| SCHEMBL27758359 | 0.82 | MAPT (0.48) | — | |
| SCHEMBL27758347 | 0.82 | MAPT (0.48) | — | |
| SCHEMBL27779693 | 0.82 | MAPT (0.48) | — | |
| SCHEMBL27758489 | 0.82 | MAPT (0.48) | — | |
| SCHEMBL29279303 | 0.82 | MAPT (0.48) | — | |
| SCHEMBL11166128 | 0.79 | — | — | |
| SCHEMBL6184126 | 0.74 | CYP3A4 (0.33) | — | |
| SCHEMBL34776 | 0.74 | CHRM1 (0.31) | — | |
| SCHEMBL22686099 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2076260-A1 | N-METHYLAMINOMETHYL ISOINDOLE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME | CELGENE CORPORATION (US) | 2009-07-08 | — | — | EP | disclosed |
| WO-2008033567-A1 | N-METHYLAMINOMETHYL ISOINDOLE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME | CELGENE CORPORATION (US) | 2008-03-20 | — | — | WO | disclosed |