⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8837679 | 0.76 | POLB (0.34) | — | |
| SCHEMBL23554970 | 0.74 | — | — | |
| SCHEMBL1997375 | 0.65 | — | — | |
| SCHEMBL7619206 | 0.65 | — | — | |
| SCHEMBL9192507 | 0.65 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL186373 | 0.65 | ALDH1A1 (0.30) | — | |
| SCHEMBL5081502 | 0.64 | CRBN (0.42) | — | |
| SCHEMBL8778459 | 0.64 | FKBP5 (0.37) | — | |
| SCHEMBL10796302 | 0.63 | CYP2C9 (0.31) | — | |
| SCHEMBL10417041 | 0.63 | CTSK (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5859239-A | Mercaptoalkanoylamino and acylmercaptoalkanoylamino benzoxazepines and benzothiazepines | E. R. SQUIBB & SONS, INC. (US) | 1999-01-12 | — | — | US | disclosed |
| US-5856477-A | HYPOTENSIVE AGENTS; CONGESTIVE HEART FAILURE | E. R. SQUIBB & SONS, INC. (US) | 1999-01-05 | — | — | US | disclosed |
| US-5723602-A | ANGIOTENSIN CONVERTING ENZYME AND ENDOPEPTIDASE INHIBITORS, CARDIOVASCULAR DISORDERS | E. R. SQUIBB & SONS, INC. (US) | 1998-03-03 | — | — | US | disclosed |
| US-5723457-A | COMPOUMDS FOR CARDIOVASCULAR DISORDERS AND INHIBITORS OF ANGIOTENSIN CONVERTING ENZYMES | E. R. SQUIBB & SONS, INC. (US) | 1998-03-03 | — | — | US | disclosed |
| EP-0599444-B1 | Dual action inhibitors | SQUIBB & SONS INC (US) | 1998-01-28 | — | — | EP | disclosed |
| US-5654294-A | CARDIOVASCULAR DISORDERS | BRISTOL-MYERS SQUIBB (US) | 1997-08-05 | — | — | US | disclosed |
| EP-0783002-A2 | Dual action inhibitors | E.R. SQUIBB & SONS, INC. (US) | 1997-07-09 | — | — | EP | disclosed |
| US-5646276-A | ANGIOTENSIN CONVERTING ENZYME AND NEUTRAL ENDOPEPTIDASE INHIBITORS; CARDIOVASCULAR DISORDERS | BRISTOL-MYERS SQUIBB CO. (US) | 1997-07-08 | — | — | US | disclosed |
| US-5552397-A | HYPOTENSIVE AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1996-09-03 | — | — | US | disclosed |
| EP-0599444-A1 | Dual action inhibitors | E.R. SQUIBB & SONS, INC. (US) | 1994-06-01 | — | — | EP | disclosed |