⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8697173 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL4237662 | 0.62 | — | — | |
| SCHEMBL1199564 | 0.58 | — | — | |
| SCHEMBL4011741 | 0.58 | — | — | |
| Bromide SCHEMBL6390222 | 0.58 | — | — | |
| SCHEMBL5433560 | 0.56 | — | — | |
| SCHEMBL213552 | 0.56 | — | — | |
| SCHEMBL7268026 | 0.54 | — | — | |
| SCHEMBL4751281 | 0.54 | — | — | |
| SCHEMBL6421758 | 0.54 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0343474-A2 | Process for the preparation of optically pure aminophenylthio- and aminoaphthalenylthio-propanoic acids | F. HOFFMANN-LA ROCHE AG (CH) | 1989-11-29 | — | — | EP | claimed |
| EP-0302379-A1 | Naphthothiazepine derivatives and a process for preparing the same | TANABE SEIYAKU CO., LTD. (JP) | 1989-02-08 | — | — | EP | claimed |
| EP-0234561-A2 | 2,3-Dihydro-2-phenyl-5-aminoalkyl-naphtho [1,2-b]-1,4-thiazepin-4(5H)-one derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1987-09-02 | — | — | EP | claimed |
| JP-2015056-A | — | — | None | — | — | JP | disclosed |
| US-8569246-B2 | Agonists of guanylate cyclase useful for the treatment of gastrointestinal disorders, inflammation, cancer and other disorders | Synergy Pharamaceuticals Inc. (US) | 2013-10-29 | — | — | US | disclosed |
| US-20130116199-A1 | Agonists of Guanylate Cyclase Useful For the Treatment of Gastrointestinal Disorders, Inflammation, Cancer and Other Disorders | SYNERGY PHARMACEUTICALS INC. (US) | 2013-05-09 | — | — | US | disclosed |
| US-5008411-A | Glycidic acid ester and process of preparation | HOFFMANN-LA ROCHE INC. (US) | 1991-04-16 | — | — | US | disclosed |
| US-5008411-A | Glycidic acid ester and process of preparation | HOFFMANN-LA ROCHE INC. (US) | 1991-04-16 | — | — | US | disclosed |
| EP-0343474-A3 | PROCESS FOR THE PREPARATION OF OPTICALLY PURE AMINOPHENYLTHIO- AND AMINOAPHTHALENYLTHIO-PROPANOIC ACIDS | F. HOFFMANN-LA ROCHE AG (CH) | 1991-01-23 | — | — | EP | disclosed |
| JP-H0215056-A | PRODUCTION OF TWO KINDS OF ENANTIOMERS OF BETA-((2-AMINO-1 NAPHTHALENYL)THIO)-ALPHA-HYDROXY-4-METHOXY-BENZENEPROPANOIC ACID | F HOFFMANN LA ROCHE AG | 1990-01-18 | — | — | JP | disclosed |
| EP-0343474-A2 | Process for the preparation of optically pure aminophenylthio- and aminoaphthalenylthio-propanoic acids | F. HOFFMANN-LA ROCHE AG (CH) | 1989-11-29 | — | — | EP | disclosed |
| EP-0343474-A2 | Process for the preparation of optically pure aminophenylthio- and aminoaphthalenylthio-propanoic acids | F. HOFFMANN-LA ROCHE AG (CH) | 1989-11-29 | — | — | EP | disclosed |
| EP-0326906-A1 | 3-Acyloxy-5-aminoalkyl-2,3-dihydro-2-phenyl-naphtho[1,2-b][1,4]thiazepin-4(5H)-one derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1989-08-09 | — | — | EP | disclosed |
| US-3983106-A | ANTIINFLAMMATORY AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1976-09-28 | — | — | US | disclosed |