⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16232094 | 0.87 | — | — | |
| SCHEMBL778399 | 0.82 | NPSR1 (0.32) | — | |
| SCHEMBL8396697 | 0.81 | — | — | |
| SCHEMBL14614333 | 0.81 | — | — | |
| SCHEMBL12144143 | 0.81 | — | — | |
| SCHEMBL776886 | 0.79 | NPSR1 (0.33) | — | |
| SCHEMBL27815737 | 0.78 | CA12 (0.31) | — | |
| SCHEMBL6735374 | 0.78 | NPSR1 (0.30) | — | |
| SCHEMBL16316227 | 0.78 | NPSR1 (0.31) | — | |
| Fluoride SCHEMBL19583482 | 0.76 | — | — |
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-2017156181-A1 | 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF | RAZE THERAPEUTICS, INC. (US) | 2017-09-14 | — | — | WO | disclosed |
| WO-2017156177-A1 | 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF | RAZE THERAPEUTICS, INC. (US) | 2017-09-14 | — | — | WO | disclosed |