⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12216608 | 0.76 | — | — | |
| SCHEMBL11505096 | 0.76 | — | — | |
| SCHEMBL12216579 | 0.76 | — | — | |
| SCHEMBL8737386 | 0.74 | — | — | |
| SCHEMBL8737383 | 0.74 | SLC22A6 (0.36) | — | |
| SCHEMBL18155442 | 0.74 | — | — | |
| SCHEMBL12181940 | 0.70 | — | — | |
| 2-Methylbutanal SCHEMBL43412 | 0.69 | — | — | |
| 2-Methylbutanal SCHEMBL3485198 | 0.69 | — | — | |
| 2-Methylbutanal SCHEMBL933421 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170298291-A1 | Phenyl Based Compounds Substituted with Aldehyde Moieties and their Use in Perfumery | GIVAUDAN S.A. (CH) | 2017-10-19 | — | — | US | disclosed |
| EP-0749044-B1 | Positive-working photoresist composition | TOKYO OHKA KOGYO CO LTD (JP) | 2000-09-06 | — | — | EP | disclosed |
| EP-0749046-B1 | Positive-working photoresist composition | TOKYO OHKA KOGYO CO LTD (JP) | 2000-05-10 | — | — | EP | disclosed |
| EP-0749044-A2 | Positive-working photoresist composition | TOKYO OHKA KOGYO CO., LTD. (JP) | 1996-12-18 | — | — | EP | disclosed |
| EP-0749046-A1 | Positive-working photoresist composition | TOKYO OHKA KOGYO CO., LTD. (JP) | 1996-12-18 | — | — | EP | disclosed |