⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL162036 | 1.00 | — | — | |
| SCHEMBL17590427 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL25381057 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL6707134 | 0.97 | — | — | |
| SCHEMBL8827755 | 0.85 | GABRR1 (0.72) | — | |
| SCHEMBL11306535 | 0.83 | APAF1 (0.36) | — | |
| SCHEMBL10308609 | 0.80 | — | — | |
| SCHEMBL22363831 | 0.80 | — | — | |
| SCHEMBL17790692 | 0.80 | — | — | |
| SCHEMBL11316232 | 0.80 | APAF1 (0.47) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210324005-A1 | Beta-Arrestin Effectors and Compositions and Methods of Use Thereof | TREVENA, INC. | 2021-10-21 | — | — | US | disclosed |
| US-9695191-B2 | Conformationally constrained, fully synthetic macrocyclic compounds | POLYPHOR AG (CH) | 2017-07-04 | — | — | US | disclosed |
| WO-2016174079-A1 | RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS | JANSSEN SCIENCES IRELAND UC (IE) | 2016-11-03 | — | — | WO | disclosed |
| US-20120270881-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2012-10-25 | — | — | US | disclosed |
| US-20120202821-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2012-08-09 | — | — | US | disclosed |
| US-20120071329-A1 | METHODS FOR IDENTIFYING COMPOUNDS OF INTEREST USING ENCODED LIBRARIES | GLAXOSMITHKLINE LLC (US) | 2012-03-22 | — | — | US | disclosed |
| US-20110251089-A1 | METHODS FOR SYNTHESIS OF ENCODED LIBRARIES | GLAXOSMITHKLINE (US) | 2011-10-13 | — | — | US | disclosed |
| US-7989395-B2 | Methods for identifying compounds of interest using encoded libraries | GLAXOSMITHKLINE LLC (US) | 2011-08-02 | — | — | US | disclosed |
| CN-101511783-A | N-biaryl (hetero) arylsulphonamide derivatives useful in the treatment of diseases mediated by lymphocytes interactions | NOVARTIS AG (CH) | 2009-08-19 | — | — | CN | disclosed |