⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL637556 | 1.00 | — | — | |
| SCHEMBL497748 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL2651958 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL29048202 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL20451186 | 0.97 | — | — | |
| SCHEMBL10626484 | 0.84 | S1PR2 (0.47) | — | |
| SCHEMBL288510 | 0.82 | SLC22A6 (0.50) | — | |
| SCHEMBL21527758 | 0.80 | LDHA (0.35) | — | |
| SCHEMBL326176 | 0.80 | CACNA2D1 (0.42) | — | |
| Acetic Acid SCHEMBL2595033 | 0.80 | SLC22A6 (0.43) | — |
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 101 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10017481-B2 | Conformationally constrained, fully synthetic macrocyclic compounds | POLYPHOR AG (CH) | 2018-07-10 | — | — | US | claimed |
| EP-2836485-B1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2018-01-10 | — | — | EP | claimed |
| US-9695191-B2 | Conformationally constrained, fully synthetic macrocyclic compounds | POLYPHOR AG (CH) | 2017-07-04 | — | — | US | claimed |
| EP-2499148-B1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2017-01-18 | — | — | EP | claimed |
| US-9512139-B2 | Conformationally constrained, fully synthetic macrocyclic compounds | POLYPHOR AG (CH) | 2016-12-06 | — | — | US | claimed |
| US-20150051183-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2015-02-19 | — | — | US | claimed |
| EP-2836485-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | Polyphor Ag (CH) | 2015-02-18 | — | — | EP | claimed |
| EP-2462147-B1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2014-11-12 | — | — | EP | claimed |
| WO-2013139697-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2013-09-26 | — | — | WO | claimed |
| US-20120270881-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2012-10-25 | — | — | US | claimed |
| EP-2499148-A2 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | Polyphor Ag (CH) | 2012-09-19 | — | — | EP | claimed |
| US-20120202821-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2012-08-09 | — | — | US | claimed |
| WO-2011014973-A2 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2011-02-10 | — | — | WO | claimed |
| CN-109790114-B | Novel chiral ligand, metal chelate, various unnatural amino acids and synthesis method of maraviroc and key intermediate thereof | 中国科学院上海药物研究所 | 2025-03-07 | — | — | CN | disclosed |
| CN-118852152-A | Pyridazinone compound and preparation method and application thereof | 国科大杭州高等研究院 | 2024-10-29 | — | — | CN | disclosed |
| US-12024499-B2 | Muscarinic agonists | HEPTARES THERAPEUTICS LIMITED (GB) | 2024-07-02 | — | — | US | disclosed |
| WO-2008144500-A2 | 1-METHYL-BENZO[1,2,4]THIADIAZINE, 1-OXIDE DERIVATIVES | ANADYS PHARMACEUTICALS, INC. (US) | 2008-11-27 | — | — | WO | disclosed |
| US-20080292588-A1 | 1-METHYL-BENZO[1,2,4]THIADIAZINE 1-OXIDE DERIVATIVES | ANADYS PHARMACEUTICALS, INC. (US) | 2008-11-27 | — | — | US | disclosed |
| US-20080292588-A1 | 1-METHYL-BENZO[1,2,4]THIADIAZINE 1-OXIDE DERIVATIVES | ANADYS PHARMACEUTICALS, INC. (US) | 2008-11-27 | — | — | US | disclosed |
| US-20040023344-A1 | Method for producing an optically activ beta-amino acid | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2004-02-05 | — | — | US | disclosed |