⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3278938 | 0.76 | — | — | |
| SCHEMBL3277784 | 0.76 | — | — | |
| SCHEMBL7903749 | 0.67 | — | — | |
| SCHEMBL5694543 | 0.65 | — | — | |
| SCHEMBL11501701 | 0.64 | — | — | |
| Thiourea SCHEMBL11798380 | 0.64 | — | — | |
| SCHEMBL10989404 | 0.64 | — | — | |
| SCHEMBL1752286 | 0.64 | — | — | |
| Urea SCHEMBL28602962 | 0.62 | ALDH1A1 (0.67) | — | |
| Urea SCHEMBL653170 | 0.62 | — | — |
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-7875713-B2 | affinity pairs that can be efficiently utilized without being limited by factors such as chemical versatility, stability, irreversibility; for affinity chromatography, affinity labeling, immobilization, bioconjugation, immunohistochemical staining, flow cytometry, in situ hybridization, genetic mapping | TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) | 2011-01-25 | — | — | US | disclosed |
| US-20060292570-A1 | Novel synthetic binding pairs and uses thereof | TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) | 2006-12-28 | — | — | US | disclosed |