⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL312465 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL27634057 | 0.79 | — | — | |
| Oxindole SCHEMBL2299434 | 0.77 | AHR (0.51) | — | |
| Piperazine SCHEMBL27718655 | 0.76 | SLC18A3 (0.31) | — | |
| SCHEMBL30196745 | 0.73 | — | — | |
| SCHEMBL30915787 | 0.73 | — | — | |
| SCHEMBL176393 | 0.69 | — | — | |
| SCHEMBL6379012 | 0.68 | — | — | |
| SCHEMBL28347353 | 0.68 | — | — | |
| Quinoxaline SCHEMBL28592780 | 0.68 | MEN1 (0.31) | — |
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-2011071996-A1 | FAAH INHIBITORS | IRONWOOD PHARMACEUTICALS, INC. (US) | 2011-06-16 | — | — | WO | disclosed |
| US-20040186160-A1 | Hexahydro-cyclohepta-pyrrole oxindole as potent kinase inhibitors | SUGEN, INC. | 2004-09-23 | — | — | US | disclosed |
| US-20040186160-A1 | Hexahydro-cyclohepta-pyrrole oxindole as potent kinase inhibitors | SUGEN, INC. | 2004-09-23 | — | — | US | disclosed |