⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5309405 | 0.79 | — | — | |
| SCHEMBL5640982 | 0.71 | — | — | |
| SCHEMBL11778201 | 0.71 | NPC1 (0.36) | — | |
| SCHEMBL28937244 | 0.67 | NPC1 (0.33) | — | |
| SCHEMBL3785748 | 0.67 | — | — | |
| SCHEMBL2541407 | 0.66 | — | — | |
| SCHEMBL8888317 | 0.64 | — | — | |
| SCHEMBL298185 | 0.62 | CRHBP (0.34) | — | |
| SCHEMBL8855765 | 0.62 | PARP1 (0.31) | — | |
| SCHEMBL3791141 | 0.62 | CRHBP (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006084210-A9 | HIF MODULATING COMPOUNDS AND METHODS OF USE THEREOF | UNIV CALIFORNIA SAN DIEGO (US) | 2006-10-26 | — | — | WO | disclosed |
| WO-2006084210-A2 | HIF MODULATING COMPOUNDS AND METHODS OF USE THEREOF | REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO (US) | 2006-08-10 | — | — | WO | disclosed |