⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3056144 | 0.76 | — | — | |
| SCHEMBL31605709 | 0.72 | — | — | |
| SCHEMBL23901006 | 0.72 | — | — | |
| SCHEMBL18376145 | 0.69 | — | — | |
| SCHEMBL18377905 | 0.68 | DPP4 (0.31) | — | |
| SCHEMBL24908627 | 0.68 | — | — | |
| SCHEMBL18377713 | 0.68 | DPP4 (0.31) | — | |
| SCHEMBL21538542 | 0.67 | ACHE (0.35) | — | |
| SCHEMBL23652063 | 0.64 | LMNA (0.31) | — | |
| SCHEMBL20644610 | 0.64 | ACHE (0.30) | — |
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-10799522-B2 | Compositions and methods relating to galectin detection | WAYNE STATE UNIVERSITY (US) | 2020-10-13 | — | — | US | disclosed |
| US-20180221400-A1 | COMPOSITIONS AND METHODS RELATING TO GALECTIN DETECTION | WAYNE STATE UNIVERSITY | 2018-08-09 | — | — | US | disclosed |