⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11201636 | 0.74 | — | — | |
| SCHEMBL2908375 | 0.73 | — | — | |
| SCHEMBL210298 | 0.73 | — | — | |
| SCHEMBL3070610 | 0.71 | — | — | |
| SCHEMBL5030227 | 0.71 | — | — | |
| SCHEMBL5709189 | 0.71 | — | — | |
| SCHEMBL397672 | 0.69 | — | — | |
| SCHEMBL7236117 | 0.69 | — | — | |
| SCHEMBL1416014 | 0.69 | — | — | |
| SCHEMBL8865541 | 0.69 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4391980-A | FOR INVERSION OF CONFIGURATION OF OPTICALLY ACTIVE COMPOUNDS | CIBA-GEIGY CORPORATION (US) | 1983-07-05 | — | — | US | disclosed |
| EP-0007605-B1 | A PROCESS FOR INVERTING THE CONFIGURATION IN OPTICALLY ACTIVE COMPOUNDS AND OPTICALLY ACTIVE INTERMEDIATE COMPOUNDS AND THEIR SALTS REQUIRED THEREFOR | CIBA-GEIGY AG (CH) | 1982-09-15 | — | — | EP | disclosed |
| US-4294966-A | SALT FORMATION | CIBA-GEIGY CORPORATION (US) | 1981-10-13 | — | — | US | disclosed |
| US-4165384-A | ADRENERGIC BLOCKING AGENTS, CARDIOVASCULAR DISORDERS | AKTIEBOLAGET HASSLE (SE) | 1979-08-21 | — | — | US | disclosed |
| US-4161530-A | CYCLIC SUBSTITUTED AMINO ALCOHOL BETA-RECEPTOR-BLOCKING AGENT AND TRYPTOPHANE | CIBA-GEIGY CORPORATION (US) | 1979-07-17 | — | — | US | disclosed |
| US-4139623-A | HYPOTENSIVE AGENTS | C-G CORP. (US) | 1979-02-13 | — | — | US | disclosed |
| US-4027027-A | BETA-RECEPTOR-BLOCKERS, HYPOTENSIVES AND VALODILATORS; FOR TREATING ARRYTHMIAS AND ANGINA PECTORIS | CIBA-GEIGY CORPORATION (US) | 1977-05-31 | — | — | US | disclosed |