⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8609553 | 0.80 | — | — | |
| SCHEMBL4650940 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL6911570 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL8608029 | 0.79 | — | — | |
| SCHEMBL1537941 | 0.78 | HRH3 (0.30) | — | |
| Hydrochloric Acid SCHEMBL1538352 | 0.76 | — | — | |
| SCHEMBL9230171 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL796466 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL9232040 | 0.74 | NPC1 (0.31) | — | |
| SCHEMBL797028 | 0.74 | — | — |
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-1768990-B1 | IMPROVED SYNTHESIS OF ANSA-METALLOCENES AND THEIR PARENT LIGANDS IN HIGH YIELD | CHEVRON PHILLIPS CHEMICAL CO (US) | 2008-10-01 | — | — | EP | claimed |