⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7683323 | 1.00 | — | — | |
| SCHEMBL22968577 | 0.81 | GAA (0.32) | — | |
| SCHEMBL22968579 | 0.81 | GAA (0.32) | — | |
| SCHEMBL7749544 | 0.80 | MAPK1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7748835 | 0.79 | MAPK1 (0.31) | — | |
| SCHEMBL13125471 | 0.77 | KMT2A (0.31) | — | |
| SCHEMBL973477 | 0.77 | KMT2A (0.31) | — | |
| SCHEMBL6078736 | 0.69 | GAA (0.36) | — | |
| SCHEMBL13893884 | 0.68 | CYP3A4 (0.33) | — | |
| SCHEMBL27306499 | 0.68 | CYP3A4 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6500841-B1 | ADMINISTERING ENZYME/TRANSFERASE INHIBITORS SUCH AS N-(N-(AMINO-3-MERCAPTOPROPYLAMINO)-3-METHYLPENTYL)-1,2,3,4-TETRAHYDRO-3 -ISOQUINOLINECARBOXYL)-METHIONINE METHYL ESTER, AS ANTICARCINOGENIC AGENTS OR PRODRUGS | MERCK & CO., INC. | 2002-12-31 | — | — | US | disclosed |
| EP-0755383-A4 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO INC (US) | 1997-08-27 | — | — | EP | disclosed |
| EP-0755383-A1 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO. INC. (US) | 1997-01-29 | — | — | EP | disclosed |
| WO-1995025092-A1 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 1995-09-21 | — | — | WO | disclosed |
| US-5439918-A | Prodrug for cancer therapy | MERCK & CO., INC. (US) | 1995-08-08 | — | — | US | disclosed |