⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8152644 | 0.82 | SLC6A2 (0.31) | — | |
| SCHEMBL4082716 | 0.77 | LMNA (0.33) | — | |
| SCHEMBL4079021 | 0.76 | PDCD1 (0.33) | — | |
| SCHEMBL31536928 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL2962695 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL4999823 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL18052295 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL4651939 | 0.74 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL5616373 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL3187704 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1833858-A2 | HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | Exxonmobil Chemical Patents Inc. (US) | 2007-09-19 | — | — | EP | disclosed |
| WO-2006065906-A2 | HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2006-06-22 | — | — | WO | disclosed |