⚠ 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 | |
|---|---|---|---|---|
| Dimethylamine SCHEMBL907685 | 0.96 | — | — | |
| Dimethylamine SCHEMBL11617039 | 0.96 | — | — | |
| Methyl Alcohol SCHEMBL1993580 | 0.76 | — | — | |
| Butane SCHEMBL3052765 | 0.75 | — | — | |
| Alcohol SCHEMBL1992680 | 0.73 | — | — | |
| Diethylamine SCHEMBL11281613 | 0.72 | TP53 (0.57) | — | |
| Butane SCHEMBL3241131 | 0.70 | — | — | |
| Butane SCHEMBL21885638 | 0.70 | — | — | |
| Butane SCHEMBL28158603 | 0.70 | — | — | |
| SCHEMBL6967054 | 0.70 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2017271-A1 | Process for the preparation of escitalopram | Aurobindo Pharma Limited (IN) | 2009-01-21 | — | — | EP | disclosed |
| EP-0110434-B1 | STEROID INTERMEDIATES SUBSTITUTED AT POSITION 11, AND PROCESS FOR THEIR PREPARATION | ROUSSEL-UCLAF (FR) | 1986-10-29 | — | — | EP | disclosed |
| EP-0057115-B1 | STEROID DERIVATIVES SUBSTITUTED IN THE 11-BETA POSITION, PROCESS FOR THEIR PREPARATION, THEIR UTILIZATION AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM | ROUSSEL-UCLAF (FR) | 1985-03-20 | — | — | EP | disclosed |
| EP-0110434-A1 | Steroid intermediates substituted at position 11, and process for their preparation | ROUSSEL-UCLAF (FR) | 1984-06-13 | — | — | EP | disclosed |
| EP-0055170-A1 | 3-Keto-delta-4 or delta-1,4 steroid derivatives substituted at position 7, their preparation, their utilization as pharmaceutical compositions, and compositions containing them | ROUSSEL-UCLAF (FR) | 1982-06-30 | — | — | EP | disclosed |
| US-4105785-A | Anti-depressive 2-methyl-4-[(3'-dimethylamino)propylidine]-9,10-dihydrobenzo [4,5]cyclohepta[1,2b]furan compounds | CENTRE EUROPEEN DE RECHERCHES MAUVERNAY (FR) | 1978-08-08 | — | — | US | disclosed |