⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12189897 | 1.00 | — | — | |
| SCHEMBL7497642 | 1.00 | — | — | |
| SCHEMBL4487319 | 0.91 | — | — | |
| SCHEMBL4487307 | 0.91 | — | — | |
| SCHEMBL821115 | 0.91 | — | — | |
| SCHEMBL16784880 | 0.87 | TRPA1 (0.31) | — | |
| SCHEMBL14966263 | 0.82 | — | — | |
| SCHEMBL8424445 | 0.82 | — | — | |
| SCHEMBL14392572 | 0.81 | — | — | |
| SCHEMBL17029139 | 0.81 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230348386-A1 | 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF | RAZE THERAPEUTICS, INC. | 2023-11-02 | — | — | US | disclosed |
| US-9403854-B2 | Cross-metathesis reaction of functionalized and substituted olefins using group 8 transition metal carbene complexes as metathesis catalysts | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2016-08-02 | — | — | US | disclosed |
| US-20150175530-A1 | ANTIBACTERIAL AGENTS | ACHAOGEN, INC. | 2015-06-25 | — | — | US | disclosed |
| US-20140288319-A1 | CROSS-METATHESIS REACTION OF FUNCTIONALIZED AND SUBSTITUTED OLEFINS USING GROUP 8 TRANSITION METAL CARBENE COMPLEXES AS METATHESIS CATALYSTS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2014-09-25 | — | — | US | disclosed |
| WO-1992000972-A1 | RENIN INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 1992-01-23 | — | — | WO | disclosed |