⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14328848 | 0.92 | — | — | |
| SCHEMBL8061701 | 0.90 | NR1D1 (0.31) | — | |
| SCHEMBL14439275 | 0.90 | NR1D1 (0.31) | — | |
| SCHEMBL8057950 | 0.84 | — | — | |
| SCHEMBL8253868 | 0.81 | — | — | |
| SCHEMBL17449472 | 0.80 | — | — | |
| SCHEMBL7762658 | 0.78 | CHRM2 (0.32) | — | |
| SCHEMBL14439212 | 0.76 | — | — | |
| SCHEMBL5033034 | 0.76 | MEN1 (0.34) | — | |
| SCHEMBL8388793 | 0.76 | KDM4E (0.32) | — |
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-9386938-B2 | Methods for collagen imaging | Collagen Medical, LLC (US) | 2016-07-12 | — | — | US | disclosed |
| US-20120114557-A1 | Methods for Collagen Imaging | Collagen Medical, LLC (US) | 2012-05-10 | — | — | US | disclosed |