⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8369208 | 0.79 | EPAS1 (0.35) | — | |
| SCHEMBL10320304 | 0.67 | — | — | |
| SCHEMBL8678242 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL821665 | 0.65 | — | — | |
| Butadiene SCHEMBL8680724 | 0.63 | — | — | |
| SCHEMBL10317913 | 0.63 | — | — | |
| SCHEMBL5845526 | 0.63 | EPAS1 (0.37) | — | |
| Chloromethane SCHEMBL8155679 | 0.62 | EPAS1 (0.34) | — | |
| Chloromethane SCHEMBL8163705 | 0.62 | EPAS1 (0.34) | — | |
| Chloromethane SCHEMBL8160673 | 0.62 | EPAS1 (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0563365-B1 | PREPARATION OF METAL COORDINATION COMPLEX | DOW CHEMICAL CO (US) | 1997-11-05 | — | — | EP | disclosed |
| EP-0563365-A1 | PREPARATION OF METAL COORDINATION COMPLEX | THE DOW CHEMICAL COMPANY (US) | 1993-10-06 | — | — | EP | disclosed |
| WO-1993008199-A1 | PREPARATION OF METAL COORDINATION COMPLEX | THE DOW CHEMICAL COMPANY (US) | 1993-04-29 | — | — | WO | disclosed |