⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10620948 | 0.63 | CRBN (0.42) | — | |
| SCHEMBL5175094 | 0.63 | TLR4 (0.50) | — | |
| SCHEMBL11443954 | 0.61 | TLR4 (0.58) | — | |
| SCHEMBL15656974 | 0.60 | MAPT (0.47) | — | |
| SCHEMBL7369844 | 0.60 | — | — | |
| SCHEMBL4954692 | 0.59 | — | — | |
| SCHEMBL2736887 | 0.59 | DDB1 (0.30) | — | |
| SCHEMBL18633398 | 0.59 | DDB1 (0.30) | — | |
| SCHEMBL8874668 | 0.58 | TLR4 (0.55) | — | |
| SCHEMBL9813810 | 0.58 | TLR4 (0.33) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105294732-B | Conformationally constrained, fully synthetic macrocyclic compounds | 波利弗尔股份公司 | 2018-09-25 | — | — | CN | disclosed |
| US-9695191-B2 | Conformationally constrained, fully synthetic macrocyclic compounds | POLYPHOR AG (CH) | 2017-07-04 | — | — | US | disclosed |
| EP-2499148-B1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2017-01-18 | — | — | EP | disclosed |
| US-9512139-B2 | Conformationally constrained, fully synthetic macrocyclic compounds | POLYPHOR AG (CH) | 2016-12-06 | — | — | US | disclosed |
| CN-102471349-B | Conformationally constrained, fully synthetic macrocyclic compounds | 波利弗尔股份公司 | 2016-08-24 | — | — | CN | disclosed |
| EP-2462147-B1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2014-11-12 | — | — | EP | disclosed |
| US-20120270881-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2012-10-25 | — | — | US | disclosed |
| EP-2499148-A2 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | Polyphor Ag (CH) | 2012-09-19 | — | — | EP | disclosed |
| US-20120202821-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2012-08-09 | — | — | US | disclosed |
| EP-2462147-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | Polyphor Ag (CH) | 2012-06-13 | — | — | EP | disclosed |
| WO-2011014973-A2 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2011-02-10 | — | — | WO | disclosed |
| WO-2011015241-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2011-02-10 | — | — | WO | disclosed |