⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6320074 | 0.84 | ERCC5 (0.74) | — | |
| SCHEMBL1651850 | 0.84 | CES2 (0.70) | — | |
| Formaldehyde SCHEMBL28155253 | 0.83 | ALDH1A1 (0.56) | — | |
| SCHEMBL574955 | 0.82 | — | — | |
| SCHEMBL6196587 | 0.82 | — | — | |
| SCHEMBL7070914 | 0.82 | ERCC5 (0.71) | — | |
| SCHEMBL51450 | 0.82 | — | — | |
| SCHEMBL554579 | 0.81 | — | — | |
| SCHEMBL1180035 | 0.80 | — | — | |
| SCHEMBL8544013 | 0.80 | CES2 (0.64) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7291628-B2 | Treatment of cocaine abuse using N-substituted derivatives of morphinan | MCLEAN HOSPITAL CORPORATION (US) | 2007-11-06 | — | — | US | claimed |
| US-20050159440-A1 | N-substituted derivatives of morphinan and uses thereof | MCLEAN HOSPITAL CORPORATION | 2005-07-21 | — | — | US | claimed |
| US-6844438-B2 | N-substituted derivatives of morphinan and uses thereof | MCLEAN HOSPITAL CORPORATION (US) | 2005-01-18 | — | — | US | claimed |
| CN-105078962-B | Application of flavane compound in preventing and treating neurodegenerative diseases | 中国医学科学院药物研究所 | 2020-02-18 | — | — | CN | disclosed |
| US-4820817-A | Process for preparing 3-substituted-6-substituted-7-oxo-1-azabicycl(3.2.0)-hept-2-ene-2-carboxylic acid | MERCK & CO., INC. (US) | 1989-04-11 | — | — | US | disclosed |
| EP-0134301-A1 | 6-(1'-Hydroxyethyl)-3-substituted amino-1-azabicyclo(3.2.0)-hept-2-en-7-one-2-carboxylic acid | MERCK & CO. INC. (US) | 1985-03-20 | — | — | EP | disclosed |
| US-4424230-A | CARBAPENICILLIN ANTIBIOTICS | MERCK & CO., INC. (US) | 1984-01-03 | — | — | US | disclosed |
| US-4397861-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1983-08-09 | — | — | US | disclosed |
| US-4347367-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1982-08-31 | — | — | US | disclosed |
| US-4318912-A | 6-(1-Hydroxyethyl)-3-substituted-1-azabicyclo(3.2.0)-hept-2-en-7-one-2-carboxylic acid | MERCK & CO., INC. (US) | 1982-03-09 | — | — | US | disclosed |
| US-4208330-A | ANTIBIOTICS, BACTERICIDES | MERCK & CO., INC. (US) | 1980-06-17 | — | — | US | disclosed |
| US-4196211-A | ANTIBIOTIC | MERCK & CO., INC. (US) | 1980-04-01 | — | — | US | disclosed |
| EP-0001627-A1 | 3-Substituted-6-(1'hydroxethyl)-7-oxo-1-azabicyclo(3.2.0.)-hept-2-ene-2-carboxylic acid, its preparation and pharmaceutical compositions containing it | MERCK & CO. INC. (US) | 1979-05-02 | — | — | EP | disclosed |