⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL828212 | 0.79 | — | — | |
| SCHEMBL7447334 | 0.76 | — | — | |
| SCHEMBL2347582 | 0.76 | — | — | |
| SCHEMBL608810 | 0.75 | — | — | |
| SCHEMBL12192282 | 0.74 | TAS2R38 (0.32) | — | |
| SCHEMBL4376109 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL2406852 | 0.73 | — | — | |
| SCHEMBL5782878 | 0.71 | PRSS1 (0.30) | — | |
| SCHEMBL99153 | 0.69 | — | — | |
| SCHEMBL11597477 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5986074-A | CHELATE COMPOUNDS AS IMAGING AGENTS AND KITS | EMORY UNIVERSITY (US) | 1999-11-16 | — | — | US | disclosed |
| US-5955053-A | TECHNETIUM OR RHENIUM CHELATES WITH LIGANDS SUCH AS DITHIOUREA, CYSTEINYLETHYLENE OR THIOACETAMIDETHIOUREA FOR IMAGES | EMORY UNIVERSITY (US) | 1999-09-21 | — | — | US | disclosed |