⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5457739 | 0.71 | — | — | |
| SCHEMBL105111 | 0.69 | — | — | |
| SCHEMBL21601908 | 0.67 | — | — | |
| SCHEMBL12311703 | 0.66 | — | — | |
| Acetic Acid SCHEMBL28597052 | 0.65 | FFAR3 (0.64) | — | |
| Bicarbonate SCHEMBL9790007 | 0.62 | CA1 (0.56) | — | |
| Bicarbonate SCHEMBL8577664 | 0.62 | — | — | |
| SCHEMBL12030665 | 0.62 | — | — | |
| SCHEMBL11018493 | 0.62 | — | — | |
| Acetone SCHEMBL21835119 | 0.61 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0312158-A2 | Tetrapeptide renin inhibitors having novel c-terminal amino acid amide | MERCK & CO. INC. (US) | 1989-04-19 | — | — | EP | claimed |
| EP-0312157-A2 | Tetrapeptide renin inhibitors having a novel c-terminal amino acid | MERCK & CO. INC. (US) | 1989-04-19 | — | — | EP | claimed |
| US-20080312287-A1 | Compound and Methods For the Treatment of Cancer and Malaria | UNIVERSITY OF WASHINGTON (US) | 2008-12-18 | — | — | US | disclosed |
| US-5606078-A | ANTIHYPERTENSIVE AGENTS | CIBA-GEIGY CORPORATION (US) | 1997-02-25 | — | — | US | disclosed |
| EP-0271296-B1 | SYNTACTIC SEALANTS | DOW CORNING CORPORATION (US) | 1993-01-20 | — | — | EP | disclosed |
| EP-0312157-A2 | Tetrapeptide renin inhibitors having a novel c-terminal amino acid | MERCK & CO. INC. (US) | 1989-04-19 | — | — | EP | disclosed |
| EP-0312158-A2 | Tetrapeptide renin inhibitors having novel c-terminal amino acid amide | MERCK & CO. INC. (US) | 1989-04-19 | — | — | EP | disclosed |
| EP-0271296-A2 | Syntactic sealants | DOW CORNING CORPORATION (US) | 1988-06-15 | — | — | EP | disclosed |
| US-4167511-A | ACTIVE HYDROGENS ON NITROGEN, OXYGEN AND SULFUR | DOW CORNING CORPORATION (US) | 1979-09-11 | — | — | US | disclosed |
| US-4104295-A | Methylsilacyclopentenyl-containing silylating agents and method therefor | DOW CORNING CORPORATION (US) | 1978-08-01 | — | — | US | disclosed |