⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11164444 | 0.94 | HSD17B10 (0.30) | — | |
| SCHEMBL11003257 | 0.87 | HSD17B10 (0.31) | — | |
| SCHEMBL24413401 | 0.86 | MAPT (0.30) | — | |
| SCHEMBL10516694 | 0.80 | — | — | |
| SCHEMBL17471398 | 0.74 | — | — | |
| SCHEMBL29612587 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL11003394 | 0.72 | HSD17B10 (0.31) | — | |
| SCHEMBL17471396 | 0.69 | MAPT (0.30) | — | |
| SCHEMBL18642713 | 0.69 | — | — | |
| SCHEMBL30410546 | 0.68 | — | — |
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-4499000-A | Power-transmission method uses spirocyclic ketals | BAYER AKTIENGESELLSCHAFT (DE) | 1985-02-12 | — | — | US | disclosed |
| EP-0047448-B1 | HYDRAULIC FLUID | BAYER AG (DE) | 1983-09-21 | — | — | EP | disclosed |
| EP-0047448-A2 | Hydraulic fluid | BAYER AG (DE) | 1982-03-17 | — | — | EP | disclosed |