⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL390617 | 0.98 | — | — | |
| SCHEMBL3998234 | 0.81 | PTGS1 (0.31) | — | |
| SCHEMBL5351721 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL5515693 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL5513587 | 0.76 | METAP2 (0.32) | — | |
| SCHEMBL7220661 | 0.75 | SLC6A2 (0.30) | — | |
| SCHEMBL1011030 | 0.75 | — | — | |
| SCHEMBL390616 | 0.75 | — | — | |
| SCHEMBL8856921 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL389033 | 0.74 | MEN1 (0.30) | — |
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 |