⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7919975 | 0.95 | HSD17B10 (0.31) | — | |
| SCHEMBL8095706 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL7922179 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL1249492 | 0.64 | — | — | |
| SCHEMBL13644355 | 0.61 | HSD17B10 (0.31) | — | |
| SCHEMBL1100033 | 0.60 | — | — | |
| SCHEMBL9815757 | 0.60 | ALDH1A1 (0.32) | — | |
| SCHEMBL1005370 | 0.60 | ALDH1A1 (0.47) | — | |
| SCHEMBL13779597 | 0.60 | OPRM1 (0.39) | — | |
| SCHEMBL19122443 | 0.60 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6218569-B1 | CATALYTIC ESTERIFICATION REACTION OF ALICYCLIC ALCOHOL AND UNSATURATED CARBOXYLIC ACID; PHOTOSENSITIVITY | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2001-04-17 | — | — | US | disclosed |
| EP-1057806-A1 | POLYMERIZABLE ALICYCLIC ESTERS AND PROCESS FOR PRODUCING THE SAME | Daicel Chemical Industries, Ltd. (JP) | 2000-12-06 | — | — | EP | disclosed |