⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23606294 | 0.84 | KDM4E (0.32) | — | |
| SCHEMBL24588811 | 0.80 | CYP1A2 (0.36) | — | |
| SCHEMBL27379358 | 0.77 | CYP1A2 (0.37) | — | |
| SCHEMBL12208530 | 0.76 | CYP1A2 (0.32) | — | |
| SCHEMBL17813319 | 0.75 | KDM4E (0.35) | — | |
| SCHEMBL9941997 | 0.74 | — | — | |
| SCHEMBL19605705 | 0.73 | ALPL (0.37) | — | |
| SCHEMBL1286818 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL15772465 | 0.72 | — | — | |
| SCHEMBL24693485 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016090079-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | CELGENE AVILOMICS RESEARCH, INC. (US) | 2016-06-09 | — | — | WO | disclosed |