⚠ 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 | |
|---|---|---|---|---|
| Ligustrazine SCHEMBL77624 | 0.69 | LMNA (0.41) | — | |
| Ligustrazine SCHEMBL27509607 | 0.69 | LMNA (0.41) | — | |
| Ligustrazine SCHEMBL583011 | 0.65 | KDM4E (0.39) | — | |
| Ligustrazine SCHEMBL583535 | 0.65 | KDM4E (0.39) | — | |
| Ligustrazine SCHEMBL28568980 | 0.61 | KDM4E (0.37) | — | |
| Ligustrazine SCHEMBL28208969 | 0.61 | KDM4E (0.37) | — | |
| SCHEMBL77010 | 0.58 | IDO1 (0.35) | — | |
| SCHEMBL14079367 | 0.56 | — | — | |
| SCHEMBL9860848 | 0.56 | CHEK1 (0.33) | — | |
| SCHEMBL11717411 | 0.54 | ALDH1A1 (0.40) | — |
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-8722076-B2 | Photochrome- or near IR dye-coupled polymeric matrices for medical articles | SURMODICS, INC. (US) | 2014-05-13 | — | — | US | disclosed |
| US-20120082713-A1 | PHOTOCHROME- OR NEAR IR DYE-COUPLED POLYMERIC MATRICES FOR MEDICAL ARTICLES | BANK OF MONTREAL, AS COLLATERAL AGENT | 2012-04-05 | — | — | US | disclosed |