⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10392920 | 1.00 | — | — | |
| SCHEMBL9509607 | 0.80 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL8125749 | 0.79 | KMT2A (0.33) | — | |
| SCHEMBL7994426 | 0.79 | KMT2A (0.33) | — | |
| SCHEMBL7994447 | 0.77 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL10338313 | 0.77 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL20290520 | 0.77 | TAAR1 (0.33) | — | |
| SCHEMBL10338316 | 0.77 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL7994444 | 0.77 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL4744556 | 0.76 | KMT2A (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0278384-B1 | ALCOHOLS AND ETHERS WITH CYCLODODECYL AND CYCLODODECENYL GROUPS, THEIR PREPARATION AND USE AS PARFUMING AGENTS | Consortium für elektrochemische Industrie GmbH (DE) | 1993-09-29 | — | — | EP | disclosed |
| US-4948780-A | Alcohols and ethers having cyclododecyl and cyclododecenyl groups, process for their preparation and scents containing same | CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) | 1990-08-14 | — | — | US | disclosed |
| EP-0278384-A2 | Alcohols and ethers with cyclododecyl and cyclododecenyl groups, their preparation and use as parfuming agents | Consortium für elektrochemische Industrie GmbH (DE) | 1988-08-17 | — | — | EP | disclosed |