⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2009985 | 0.61 | — | — | |
| SCHEMBL208590 | 0.60 | — | — | |
| SCHEMBL208652 | 0.59 | — | — | |
| SCHEMBL3757032 | 0.53 | — | — | |
| SCHEMBL23412654 | 0.51 | KDM4E (0.46) | — | |
| SCHEMBL8352318 | 0.51 | — | — | |
| SCHEMBL31757735 | 0.48 | — | — | |
| SCHEMBL23896640 | 0.48 | KDM4E (0.53) | — | |
| SCHEMBL3534256 | 0.47 | DRD2 (0.48) | — | |
| SCHEMBL858586 | 0.47 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5576443-A | Thioheterocyclic near-infrared absorbing dyes | STERLING DIAGNOSTIC IMAGING, INC. (US) | 1996-11-19 | — | — | US | disclosed |