⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20199838 | 0.91 | HSD17B10 (0.33) | — | |
| SCHEMBL22112589 | 0.91 | KDM4E (0.31) | — | |
| SCHEMBL20199792 | 0.84 | — | — | |
| SCHEMBL22069374 | 0.84 | KDM4E (0.34) | — | |
| SCHEMBL22112422 | 0.82 | HSD17B10 (0.34) | — | |
| SCHEMBL20200044 | 0.79 | HDAC1 (0.38) | — | |
| SCHEMBL20200022 | 0.79 | KMT2A (0.36) | — | |
| SCHEMBL20199802 | 0.78 | ALDH1A1 (0.34) | — | |
| SCHEMBL22393245 | 0.76 | KDM4E (0.34) | — | |
| SCHEMBL20200027 | 0.75 | HSD17B10 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018096082-A1 | HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-05-31 | — | — | WO | disclosed |