⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6724888 | 0.82 | — | — | |
| SCHEMBL6729047 | 0.80 | — | — | |
| SCHEMBL11469292 | 0.79 | USP2 (0.36) | — | |
| SCHEMBL7579999 | 0.78 | GAA (0.45) | — | |
| SCHEMBL7656664 | 0.78 | ALDH1A1 (0.43) | — | |
| SCHEMBL7731795 | 0.75 | — | — | |
| SCHEMBL3074569 | 0.75 | — | — | |
| SCHEMBL8193236 | 0.75 | — | — | |
| SCHEMBL745861 | 0.75 | — | — | |
| SCHEMBL6726898 | 0.73 | — | — |
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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108026026-A | Beta-amino acids and analog and its application as the β-substituted of chemotherapeutics | 夸德里加生物科学公司 | 2018-05-11 | — | — | CN | claimed |
| EP-1465882-A4 | HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS | X CEPTOR THERAPEUTICS INC (US) | 2005-04-06 | — | — | EP | claimed |
| EP-1465882-A2 | HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS | X-Ceptor Therapeutics, Inc. (US) | 2004-10-13 | — | — | EP | claimed |
| US-6696473-B2 | THIAZOLIDINONE DERIVATIVES; MODULATING CHOLESTEROL METABOLISM | X-CEPTOR THERAPEUTICS, INC. | 2004-02-24 | — | — | US | claimed |
| WO-2003060078-A9 | HETEROCYCLIC MODULATORS OF NUCLEAR RECEPTORS | X CEPTOR THERAPEUTICS INC (US) | 2004-02-19 | — | — | WO | claimed |
| US-20030212111-A1 | Heterocyclic modulators of nuclear receptors | AKARNA THERAPEUTICS, LTD. (GB) | 2003-11-13 | — | — | US | claimed |
| WO-2003060078-A2 | HETEROCYCLIC MODULATORS OF NUCLEAR RECEPTORS | X-CEPTOR THERAPEUTICS, INC. (US) | 2003-07-24 | — | — | WO | claimed |
| US-4234578-A | ANTIBIOTICS | CIBA-GEIGY CORPORATION (US) | 1980-11-18 | — | — | US | claimed |
| US-RE29119-E | 7-Pyridinium methyl carboxyl derivatives of 7-amino-cephalosporanic acid | CIBA-GEIGY CORPORATION (US) | 1977-01-18 | — | — | US | claimed |
| CN-108026026-B | Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof | 夸德里加生物科学公司 | 2021-02-09 | — | — | CN | disclosed |
| CN-108026026-A | Beta-amino acids and analog and its application as the β-substituted of chemotherapeutics | 夸德里加生物科学公司 | 2018-05-11 | — | — | CN | disclosed |
| US-7115640-B2 | Heterocyclic modulators of nuclear receptors | X-CEPTOR THERAPEUTICS, INC. (US) | 2006-10-03 | — | — | US | disclosed |
| EP-1465882-A4 | HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS | X CEPTOR THERAPEUTICS INC (US) | 2005-04-06 | — | — | EP | disclosed |
| EP-1465882-A2 | HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS | X-Ceptor Therapeutics, Inc. (US) | 2004-10-13 | — | — | EP | disclosed |
| US-4150223-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1979-04-17 | — | — | US | disclosed |
| US-4064344-A | ANTIBIOTIC | MERCK & CO., INC. (US) | 1977-12-20 | — | — | US | disclosed |
| US-4060687-A | Cephalosporins having a 3-α substituted alkyl grouping | MERCK & CO., INC. (US) | 1977-11-29 | — | — | US | disclosed |
| US-4032521-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1977-06-28 | — | — | US | disclosed |
| US-3974151-A | Cephalosporin compounds | MERCK & CO., INC. (US) | 1976-08-10 | — | — | US | disclosed |
| US-3947413-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1976-03-30 | — | — | US | disclosed |