⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27265310 | 1.00 | — | — | |
| SCHEMBL28188731 | 1.00 | — | — | |
| SCHEMBL2349561 | 0.87 | — | — | |
| SCHEMBL250773 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL27932402 | 0.79 | — | — | |
| SCHEMBL4420708 | 0.75 | TSHR (0.52) | — | |
| SCHEMBL5987035 | 0.73 | FAAH (0.38) | — | |
| SCHEMBL5984882 | 0.73 | FAAH (0.38) | — | |
| SCHEMBL5985932 | 0.73 | FAAH (0.38) | — | |
| SCHEMBL5984929 | 0.73 | FAAH (0.38) | — |
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-1148891-B1 | Method of packaging an oxidation sensitive medicinal substance | UPJOHN CO (US) | 2004-03-17 | — | — | EP | disclosed |
| EP-1148891-A1 | GAMMA-IRRADIATION STERILIZED POLYETHYLENE PACKAGING | PHARMACIA & UPJOHN COMPANY (US) | 2001-10-31 | — | — | EP | disclosed |
| WO-2000043049-A1 | GAMMA-IRRADIATION STERILIZED POLYETHYLENE PACKAGING | PHARMACIA & UPJOHN COMPANY (US) | 2000-07-27 | — | — | WO | disclosed |