⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30135601 | 1.00 | — | — | |
| SCHEMBL30862124 | 1.00 | — | — | |
| SCHEMBL29262230 | 1.00 | — | — | |
| SCHEMBL29376251 | 1.00 | — | — | |
| SCHEMBL10356584 | 1.00 | — | — | |
| SCHEMBL7199395 | 0.71 | — | — | |
| SCHEMBL10545140 | 0.71 | — | — | |
| Bromide SCHEMBL288417 | 0.71 | — | — | |
| SCHEMBL2507 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL22686 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0839135-B1 | PROCESS FOR PREPARING OPTICALLY ACTIVE 1-(P-METHOXYBENZYL)-1,2,3,4,5,6,7,8-OCTAHYDROISOQUINOLINE | HOFFMANN LA ROCHE (CH) | 2001-10-10 | — | — | EP | disclosed |
| EP-0839135-A1 | PROCESS FOR PREPARING OPTICALLY ACTIVE 1-(P-METHOXYBENZYL)-1,2,3,4,5,6,7,8-OCTAHYDROISOQUINOLINE | LONZA AG (CH) | 1998-05-06 | — | — | EP | disclosed |
| WO-1997003052-A1 | PROCESS FOR PREPARING OPTICALLY ACTIVE 1-(P-METHOXYBENZYL)-1,2,3,4,5,6,7,8-OCTAHYDROISOQUINOLINE | LONZA AG (CH) | 1997-01-30 | — | — | WO | disclosed |
| EP-0225602-B1 | ALPHA-HYDROXYTHIO ETHERS | CIBA-GEIGY AG (CH) | 1991-10-09 | — | — | EP | disclosed |
| EP-0225602-A2 | Alpha-hydroxythio ethers | CIBA-GEIGY AG (CH) | 1987-06-16 | — | — | EP | disclosed |