⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14614926 | 1.00 | — | — | |
| SCHEMBL9234524 | 0.93 | TSHR (0.36) | — | |
| SCHEMBL9234521 | 0.93 | TSHR (0.36) | — | |
| SCHEMBL31094928 | 0.91 | TSHR (0.39) | — | |
| SCHEMBL17741233 | 0.85 | — | — | |
| SCHEMBL8724684 | 0.79 | ADRB2 (0.45) | — | |
| SCHEMBL8724680 | 0.79 | ADRB2 (0.45) | — | |
| SCHEMBL11496418 | 0.76 | — | — | |
| SCHEMBL7831010 | 0.76 | — | — | |
| SCHEMBL26682083 | 0.76 | — | — |
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-20160083409-A1 | METHOD FOR THE PREPARATION OF alpha-SUBSTITUTED ACRYL ALDEHYDES | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2016-03-24 | — | — | US | disclosed |
| EP-0971868-A1 | METHOD FOR PRODUCING N-BUTYRALDEHYDE AND/OR N-BUTANOL | BASF AKTIENGESELLSCHAFT (DE) | 2000-01-19 | — | — | EP | disclosed |
| EP-0739332-B1 | PROCESS FOR PRODUCING n-BUTYRALDEHYDE AND/OR n-BUTANOL | BASF AG (DE) | 1998-10-14 | — | — | EP | disclosed |
| WO-1998041494-A1 | METHOD FOR PRODUCING N-BUTYRALDEHYDE AND/OR N-BUTANOL | BASF AKTIENGESELLSCHAFT (DE) | 1998-09-24 | — | — | WO | disclosed |
| EP-0739332-A1 | PROCESS FOR PRODUCING n-BUTYRALDEHYDE AND/OR n-BUTANOL | BASF AKTIENGESELLSCHAFT (DE) | 1996-10-30 | — | — | EP | disclosed |
| WO-1995019334-A1 | PROCESS FOR PRODUCING n-BUTYRALDEHYDE AND/OR n-BUTANOL | BASF AKTIENGESELLSCHAFT (DE) | 1995-07-20 | — | — | WO | disclosed |