⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11272509 | 0.76 | CA1 (0.35) | — | |
| SCHEMBL8531998 | 0.73 | HSD17B10 (0.32) | — | |
| SCHEMBL711900 | 0.71 | — | — | |
| SCHEMBL9980891 | 0.71 | — | — | |
| SCHEMBL35863 | 0.71 | — | — | |
| SCHEMBL13555483 | 0.71 | — | — | |
| SCHEMBL16578201 | 0.69 | — | — | |
| SCHEMBL11646037 | 0.69 | — | — | |
| SCHEMBL28805124 | 0.69 | — | — | |
| SCHEMBL7763646 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5527952-A | Process for producing aldehyde derivatives | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-06-18 | — | — | US | disclosed |
| US-5424478-A | Process for producing vitamin A derivatives | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-06-13 | — | — | US | disclosed |
| CN-1097414-A | The method for preparing vitamin A derivatives | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1995-01-18 | — | — | CN | disclosed |