⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12230517 | 0.81 | ABCG2 (0.41) | — | |
| SCHEMBL5951840 | 0.74 | — | — | |
| SCHEMBL5951140 | 0.70 | APP (0.46) | — | |
| SCHEMBL5951617 | 0.67 | KCNH2 (0.33) | — | |
| SCHEMBL734304 | 0.67 | ABCG2 (0.32) | — | |
| SCHEMBL5951720 | 0.67 | MAOA (0.33) | — | |
| SCHEMBL12230516 | 0.64 | POLB (0.36) | — | |
| SCHEMBL45637 | 0.63 | ABCG2 (0.36) | — | |
| SCHEMBL29435911 | 0.61 | ABCG2 (0.40) | — | |
| SCHEMBL29450629 | 0.61 | ABCG2 (0.40) | — |
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 5 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 |
| EP-0968158-B1 | METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM | BASELL POLYOLEFINE GMBH (DE) | 2005-08-10 | — | — | EP | 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 |