⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2628485 | 0.92 | — | — | |
| SCHEMBL2628484 | 0.77 | — | — | |
| SCHEMBL17163935 | 0.72 | — | — | |
| SCHEMBL10157085 | 0.72 | — | — | |
| SCHEMBL669476 | 0.70 | — | — | |
| SCHEMBL14778763 | 0.69 | — | — | |
| SCHEMBL19466507 | 0.69 | — | — | |
| SCHEMBL29196448 | 0.69 | — | — | |
| SCHEMBL21101463 | 0.67 | KCNH2 (0.30) | — | |
| SCHEMBL18995079 | 0.67 | — | — |
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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180162842-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED | 2018-06-14 | — | — | US | disclosed |
| US-9962386-B2 | Heteroaryl compounds useful as inhibitors of SUMO activating enzyme | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2018-05-08 | — | — | US | disclosed |
| US-9751890-B2 | Heteroaryl derivatives as CFTR modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-09-05 | — | — | US | disclosed |
| US-20170216290-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2017-08-03 | — | — | US | disclosed |
| US-9683003-B2 | Heteroaryl compounds useful as inhibitors of SUMO activating enzyme | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2017-06-20 | — | — | US | disclosed |
| US-20170107225-A1 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | VERTEX PHARMACEUTICALS INCORPORATED | 2017-04-20 | — | — | US | disclosed |
| US-20170088554-A1 | THERAPEUTIC COMPOUNDS | GILEAD SCIENCES, INC. | 2017-03-30 | — | — | US | disclosed |
| US-9464096-B2 | Therapeutic compounds | GILEAD SCIENCES, INC. (US) | 2016-10-11 | — | — | US | disclosed |
| US-20160152582-A1 | THERAPEUTIC COMPOUNDS | GILEAD SCIENCES, INC. | 2016-06-02 | — | — | US | disclosed |
| US-20160024104-A1 | THERAPEUTIC COMPOUNDS | GILEAD SCIENCES, INC. | 2016-01-28 | — | — | US | disclosed |
| US-20100016289-A1 | Compounds Useful as Antagonists of CCR2 | MILLENNIUM PHARMACEUTICALS, INC. | 2010-01-21 | — | — | US | disclosed |
| US-7645789-B2 | Indole derivatives as CFTR modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-01-12 | — | — | US | disclosed |
| US-20090253736-A1 | AZAINDOLE DERIVATIVES AS CFTR MODULATORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-10-08 | — | — | US | disclosed |
| US-20090253736-A1 | AZAINDOLE DERIVATIVES AS CFTR MODULATORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-10-08 | — | — | US | disclosed |
| US-20090221597-A1 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | VERTEX PHARMACEUTICALS INCORPORATED | 2009-09-03 | — | — | US | disclosed |
| US-20090197884-A1 | Compounds Useful as Antagonists of CCR2 | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2009-08-06 | — | — | US | disclosed |
| US-20090163497-A1 | Compounds Useful as Antagonists of CCR2 | MILLENNIUM PHARMACEUTICALS, INC. | 2009-06-25 | — | — | US | disclosed |
| US-20090163497-A1 | Compounds Useful as Antagonists of CCR2 | MILLENNIUM PHARMACEUTICALS, INC. | 2009-06-25 | — | — | US | disclosed |
| US-20090131492-A1 | Indole derivatives as CFTR modulators | VERTEX PHARMACEUTICALS INCORPORATED | 2009-05-21 | — | — | US | disclosed |
| US-20080176899-A1 | Modulators of ATP-Binding Cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED | 2008-07-24 | — | — | US | disclosed |