⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL474965 | 0.77 | — | — | |
| SCHEMBL474963 | 0.77 | — | — | |
| SCHEMBL9746694 | 0.75 | — | — | |
| SCHEMBL174976 | 0.74 | GRIK1 (0.50) | — | |
| SCHEMBL6131545 | 0.74 | GRIK1 (0.40) | — | |
| SCHEMBL1045132 | 0.72 | — | — | |
| SCHEMBL6449828 | 0.72 | — | — | |
| SCHEMBL8251491 | 0.72 | — | — | |
| SCHEMBL11763944 | 0.72 | — | — | |
| SCHEMBL9603288 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230009130-A1 | SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS | INTRA-CELLULAR THERAPIES, INC. | 2023-01-12 | — | — | US | disclosed |
| US-20200102309-A1 | SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS | INTRA-CELLULAR THERAPIES, INC. | 2020-04-02 | — | — | US | disclosed |
| US-20140045779-A1 | COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION | XU LIFENG (US) | 2014-02-13 | — | — | US | disclosed |