⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL466605 | 1.00 | — | — | |
| SCHEMBL466604 | 1.00 | — | — | |
| SCHEMBL466770 | 0.84 | — | — | |
| SCHEMBL466769 | 0.84 | — | — | |
| SCHEMBL466670 | 0.82 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL466669 | 0.82 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL466630 | 0.80 | LMNA (0.35) | — | |
| SCHEMBL467074 | 0.80 | LMNA (0.35) | — | |
| SCHEMBL466631 | 0.80 | LMNA (0.35) | — | |
| SCHEMBL467073 | 0.80 | LMNA (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20140213538-A1 | LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | INTERMUNE, INC. | 2014-07-31 | — | — | US | disclosed |
| EP-0950652-B1 | Cis-configurational unsaturated ester, process for producing the same, and fragrance composition containing the same | KURARAY CO (JP) | 2002-07-03 | — | — | EP | disclosed |
| US-6159928-A | Cis-configurational unsaturated ester, process for producing the same, and fragrance composition containing the same | KURARAY CO., LTD. (JP) | 2000-12-12 | — | — | US | disclosed |
| EP-0950652-A1 | Cis-configurational unsaturated ester, process for producing the same, and fragrance composition containing the same | KURARAY CO., LTD. (JP) | 1999-10-20 | — | — | EP | disclosed |