⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL288574 | 0.86 | FOLH1 (0.44) | — | |
| Ammonia Solution, Strong SCHEMBL14895304 | 0.82 | CYP1A2 (0.36) | — | |
| SCHEMBL26292907 | 0.81 | — | — | |
| SCHEMBL12612107 | 0.78 | ALDH1A1 (0.40) | — | |
| SCHEMBL5566705 | 0.77 | TSHR (0.54) | — | |
| SCHEMBL14068850 | 0.77 | ALDH1A1 (0.56) | — | |
| SCHEMBL13792942 | 0.77 | ALDH1A1 (0.45) | — | |
| SCHEMBL10988936 | 0.76 | LMNA (0.44) | — | |
| SCHEMBL163217 | 0.76 | LMNA (0.44) | — | |
| SCHEMBL6626246 | 0.76 | ALDH1A1 (0.54) | — |
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 1979 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3008037-B1 | HYDROXY-ETHYLENE DERIVATIVES FOR THE TREATMENT OF ARTHROSIS | MERCK PATENT GMBH (DE) | 2018-09-26 | — | — | EP | claimed |
| 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 |
| EP-2673287-B1 | AMINO STATIN DERIVATIVES FOR THE TREATMENT OF ARTHROSIS | MERCK PATENT GMBH (DE) | 2017-08-30 | — | — | 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 |
| EP-3008037-A1 | HYDROXY-ETHYLENE DERIVATIVES FOR THE TREATMENT OF ARTHROSIS | Merck Patent GmbH (DE) | 2016-04-20 | — | — | EP | claimed |
| CN-105263900-A | Hydroxy-ethylene derivatives for the treatment of arthrosis | MERCK PATENT GMBH | 2016-01-20 | — | — | CN | claimed |
| EP-2877485-A1 | HYDROXYSTATIN DERIVATIVES FOR TREATMENT OF ARTHROSIS | Merck Patent GmbH (DE) | 2015-06-03 | — | — | 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 |
| WO-2012107153-A1 | AMINO STATIN DERIVATIVESFOR THE TREATMENT OF ARTHROSIS | MERCK PATENT GMBH (DE) | 2012-08-16 | — | — | WO | 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 |
| US-20080233137-A1 | Compounds that Block the C5a Receptor and Their Use in Therapy | ALLIGATOR BIOSCIENCE AB (SE) | 2008-09-25 | — | — | US | claimed |
| US-7256172-B1 | Method of treatment and agents useful for same | THE UNIVERSITY OF MELBOURNE (AU) | 2007-08-14 | — | — | US | claimed |
| CN-1997664-A | Compounds that block the C5A receptor and their use in therapy | ALLIGATOR BIOSCIENCE AB PUBL (SE) | 2007-07-11 | — | — | CN | claimed |
| EP-1586583-A2 | Compounds that block C5a complement receptor and their use in therapy | Alligator Bioscience AB (publ) (SE) | 2005-10-19 | — | — | EP | claimed |