⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7800574 | 0.80 | UGT2B17 (0.30) | — | |
| SCHEMBL5612622 | 0.79 | — | — | |
| SCHEMBL628925 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL3189999 | 0.75 | HTR2A (0.31) | — | |
| SCHEMBL5349452 | 0.72 | LMNA (0.30) | — | |
| SCHEMBL7049046 | 0.71 | — | — | |
| SCHEMBL2532084 | 0.70 | — | — | |
| SCHEMBL5348491 | 0.69 | S1PR4 (0.32) | — | |
| SCHEMBL9421537 | 0.68 | UGT2B17 (0.32) | — | |
| SCHEMBL5860056 | 0.68 | UGT2B17 (0.32) | — |
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-1058694-B1 | Catalyst system, method for its production and its use for the polymerisation of olefins | BASELL POLYOLEFINE GMBH (DE) | 2003-04-09 | — | — | EP | claimed |
| EP-0836624-B1 | METHOD FOR PRODUCING PREPOLYMERIZED, SUPPORTED METALLOCENE CATALYST SYSTEMS | EXXONMOBIL CHEM PATENTS INC (US) | 2002-04-17 | — | — | EP | claimed |