⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6428701 | 0.79 | ALDH1A1 (0.30) | — | |
| SCHEMBL10004774 | 0.77 | ALDH1A1 (0.40) | — | |
| SCHEMBL209810 | 0.75 | — | — | |
| SCHEMBL9306744 | 0.74 | ALDH1A1 (0.40) | — | |
| SCHEMBL5388712 | 0.74 | — | — | |
| SCHEMBL7525488 | 0.74 | — | — | |
| SCHEMBL28727440 | 0.73 | ALDH1A1 (0.42) | — | |
| SCHEMBL28729281 | 0.73 | ALDH1A1 (0.42) | — | |
| SCHEMBL26679456 | 0.73 | — | — | |
| SCHEMBL1548185 | 0.73 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0113101-A1 | 6-(1-Hydroxyethyl)-2-SR8-1-methyl-1-carbadethiapen-2-em-3-carboxylic acid esters | MERCK & CO. INC. (US) | 1984-07-11 | — | — | EP | disclosed |
| US-4196211-A | ANTIBIOTIC | MERCK & CO., INC. (US) | 1980-04-01 | — | — | US | disclosed |
| US-4107191-A | PROSTAGLANDINS, BLOOD PRESSURE LOWERING, LABOR INDUCTION, REPRODUCTIVE-CYCLE REGULATION, GASTRIC ANTISECRETORY | THE UPJOHN COMPANY (US) | 1978-08-15 | — | — | US | disclosed |
| US-4104474-A | PROSTAGLANDINS, HYPOTENSIVE, OXYTOCICS, ANTIFERTILITY, ANTISECRETORY | THE UPJOHN COMPANY (US) | 1978-08-01 | — | — | US | disclosed |
| US-4099014-A | BLOOD PLATELET AGGREGATION INHIBITORS | THE UPJOHN COMPANY (US) | 1978-07-04 | — | — | US | disclosed |
| US-4099015-A | PROSTAGLANDINS | THE UPJOHN COMPANY (US) | 1978-07-04 | — | — | US | disclosed |
| US-4086258-A | PROSTAGLANDINS | THE UPJOHN COMPANY (US) | 1978-04-25 | — | — | US | disclosed |
| US-4033989-A | 9-Deoxy-PGF2 Analogs | THE UPJOHN COMPANY (US) | 1977-07-05 | — | — | US | disclosed |
| US-4029681-A | 13,14-Didehydro-PG analogs | THE UPJOHN COMPANY (US) | 1977-06-14 | — | — | US | disclosed |
| US-4026909-A | PROSTAGLANDINS | THE UPJOHN COMPANY (US) | 1977-05-31 | — | — | US | disclosed |
| US-4018803-A | 13,14-Didehydro-PG3 compounds | THE UPJOHN COMPANY (US) | 1977-04-19 | — | — | US | disclosed |
| US-4016184-A | PROSTAGLANDINS, BLOOD PLATELET AGGREGATION INHIBITORS | THE UPJOHN COMPANY (US) | 1977-04-05 | — | — | US | disclosed |