⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3778651 | 0.82 | — | — | |
| SCHEMBL1232723 | 0.82 | — | — | |
| SCHEMBL15064671 | 0.57 | — | — | |
| SCHEMBL3778648 | 0.57 | — | — | |
| SCHEMBL301108 | 0.46 | TSHR (0.33) | — | |
| Hydrochloric Acid SCHEMBL28147081 | 0.45 | CYP2D6 (0.30) | — | |
| SCHEMBL2287357 | 0.44 | — | — | |
| SCHEMBL31181980 | 0.44 | TSHR (0.31) | — | |
| SCHEMBL27809597 | 0.44 | — | — | |
| SCHEMBL30307634 | 0.43 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2797869-A1 | PREPARATION OF alpha,beta-ETHYLENICALLY UNSATURATED CARBOXYLIC SALTS BY CATALYTIC CARBOXYLATION OF ALKENES | BASF SE (DE) | 2014-11-05 | — | — | EP | disclosed |
| US-8697909-B2 | Preparation of α,β-ethylenically unsaturated carboxylic salts by catalytic carboxylation of alkenes | BASF SE (DE) | 2014-04-15 | — | — | US | disclosed |
| US-20130172616-A1 | Preparation of a,B-Ethylenically Unsaturated Carboxylic Salts By Catalytic Carboxylation Of Alkenes | BASF SE (DE) | 2013-07-04 | — | — | US | disclosed |
| WO-2013098772-A1 | PREPARATION OF α,β-ETHYLENICALLY UNSATURATED CARBOXYLIC SALTS BY CATALYTIC CARBOXYLATION OF ALKENES | BASF SE (DE) | 2013-07-04 | — | — | WO | disclosed |