⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL41777 | 1.00 | — | — | |
| Bromide SCHEMBL1704371 | 0.96 | — | — | |
| Fluoride SCHEMBL29440629 | 0.96 | — | — | |
| SCHEMBL28424179 | 0.96 | PYCR1 (0.43) | — | |
| Water SCHEMBL7038762 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL41535 | 0.96 | — | — | |
| Iodide SCHEMBL9422926 | 0.96 | — | — | |
| SCHEMBL29368539 | 0.96 | — | — | |
| Formaldehyde SCHEMBL11036055 | 0.93 | PYCR1 (0.41) | — | |
| Chloromethane SCHEMBL2021515 | 0.93 | PYCR1 (0.41) | — |
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-10017481-B2 | Conformationally constrained, fully synthetic macrocyclic compounds | POLYPHOR AG (CH) | 2018-07-10 | — | — | US | disclosed |
| EP-2836485-B1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2018-01-10 | — | — | EP | disclosed |
| US-20150051183-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2015-02-19 | — | — | US | disclosed |
| EP-2836485-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | Polyphor Ag (CH) | 2015-02-18 | — | — | EP | disclosed |
| WO-2013139697-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2013-09-26 | — | — | WO | disclosed |
| US-5073205-A | Circulation of water/n-methylolacrylamide-n-methyldiallylamine copolymer mixture in booth to condition paint, lacquer or ena mel solids | MERCK & CO., INC. (US) | 1991-12-17 | — | — | US | disclosed |
| US-4295931-A | POLYDIALLYLAMINE-EPIHALOHYDRIN RESIN, KETENE DIMER OR ANHYDRIDE OR ISOCYANATE, PAPER | HERCULES INCORPORATED (US) | 1981-10-20 | — | — | US | disclosed |