⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23412212 | 0.85 | — | — | |
| SCHEMBL102848 | 0.77 | CES2 (0.40) | — | |
| SCHEMBL28642337 | 0.74 | CES2 (0.39) | — | |
| SCHEMBL27886103 | 0.74 | CES2 (0.39) | — | |
| SCHEMBL23174652 | 0.74 | CES2 (0.39) | — | |
| SCHEMBL29121446 | 0.74 | CES2 (0.39) | — | |
| SCHEMBL1229323 | 0.74 | AR (0.41) | — | |
| SCHEMBL3925541 | 0.71 | TSHR (0.36) | — | |
| SCHEMBL2093927 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL602192 | 0.69 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7038070-B2 | Preparation of preparing substituted indanones | BASELL POLYOLEFINE GMBH (DE) | 2006-05-02 | — | — | US | disclosed |
| US-6963017-B2 | Preparation of preparing substituted indanones | BASELL POLYOLEFINE GMBH (DE) | 2005-11-08 | — | — | US | disclosed |
| US-20050033076-A1 | Preparation of preparing substituted indanones | EQUISTAR CHEMICALS, LP | 2005-02-10 | — | — | US | disclosed |
| US-20030009046-A1 | Preparation of preparing substituted indanones | EQUISTAR CHEMICALS, LP | 2003-01-09 | — | — | US | disclosed |
| EP-1084160-A1 | METHOD FOR PRODUCING POLYPROPYLENE WITH SPECIAL METALLOCENES | Basell Polyolefine GmbH (DE) | 2001-03-21 | — | — | EP | disclosed |
| WO-1999054368-A1 | METHOD FOR PRODUCING POLYPROPYLENE WITH SPECIAL METALLOCENES | TARGOR GMBH (DE) | 1999-10-28 | — | — | WO | disclosed |