⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6653543 | 0.79 | — | — | |
| SCHEMBL6652893 | 0.65 | ADRA2C (0.33) | — | |
| SCHEMBL6998428 | 0.61 | KMT2A (0.50) | — | |
| Hydrochloric Acid SCHEMBL3895431 | 0.59 | KMT2A (0.48) | — | |
| SCHEMBL7003542 | 0.53 | HTR2A (0.57) | — | |
| SCHEMBL14754331 | 0.50 | MAOA (0.39) | — | |
| SCHEMBL6998985 | 0.50 | PDPK1 (0.59) | — | |
| SCHEMBL2001938 | 0.49 | BCHE (0.61) | — | |
| Dimethylamine SCHEMBL28473737 | 0.49 | HTR2A (0.44) | — | |
| SCHEMBL23864592 | 0.49 | KMT2A (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1257587-B1 | HYDROGENATION OF UNSATURATED POLYMERS USING DIVALENT DIENE-CONTAINING BIS-CYCLOPENTADIENYL GROUP IV METAL CATALYSTS | DOW GLOBAL TECHNOLOGIES INC (US) | 2004-06-23 | — | — | EP | claimed |