⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17010243 | 0.77 | CYP11B1 (0.31) | — | |
| SCHEMBL3432642 | 0.76 | — | — | |
| SCHEMBL2531038 | 0.76 | HTR2A (0.35) | — | |
| Hydrochloric Acid SCHEMBL7765740 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL1685562 | 0.75 | — | — | |
| SCHEMBL1415859 | 0.75 | SIGMAR1 (0.34) | — | |
| SCHEMBL8854212 | 0.71 | BCHE (0.37) | — | |
| SCHEMBL8959336 | 0.71 | POLB (0.33) | — | |
| SCHEMBL27478388 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL29959660 | 0.70 | LMNA (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998052686-A1 | METHOD FOR MAKING AND USING A PREPOLYMERIZED OLEFIN POLYMERIZATION CATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1998-11-26 | — | — | WO | claimed |
| WO-1998052686-A1 | METHOD FOR MAKING AND USING A PREPOLYMERIZED OLEFIN POLYMERIZATION CATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1998-11-26 | — | — | WO | disclosed |