⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9050500 | 0.82 | — | — | |
| SCHEMBL10052274 | 0.78 | — | — | |
| SCHEMBL17119542 | 0.74 | — | — | |
| SCHEMBL17119556 | 0.72 | LMNA (0.31) | — | |
| SCHEMBL19942444 | 0.67 | — | — | |
| SCHEMBL18812104 | 0.67 | — | — | |
| SCHEMBL4945727 | 0.67 | — | — | |
| SCHEMBL24642758 | 0.65 | — | — | |
| SCHEMBL3939112 | 0.59 | — | — | |
| SCHEMBL4455806 | 0.59 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3395821-B1 | ANTITUMORAL COMPOUNDS | PHARMA MAR SA (ES) | 2019-05-15 | — | — | EP | disclosed |
| WO-2018089353-A1 | 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-17 | — | — | WO | disclosed |
| US-20170088531-A1 | BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 | JANSSEN PHARMACEUTICA NV (BE) | 2017-03-30 | — | — | US | disclosed |
| EP-2064180-B1 | 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS | MERCK SHARP & DOHME (US) | 2016-07-13 | — | — | EP | disclosed |
| US-20160194274-A1 | PHENANTHRENE DERIVATIVES FOR USE AS MEDICAMENTS | VALENTIA BIOPHARMA (ES) | 2016-07-07 | — | — | US | disclosed |
| US-20150336956-A1 | AZAINDOLE DERIVATIVES AS CFTR MODULATORS | VERTEX PHARAMCEUTICALS INCORPORATED | 2015-11-26 | — | — | US | disclosed |
| WO-2015153683-A1 | ANTI-FIBROTIC PYRIDINONES | INTERMUNE, INC. (US) | 2015-10-08 | — | — | WO | disclosed |
| US-8952050-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-02-10 | — | — | US | disclosed |
| US-20140080826-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-03-20 | — | — | US | disclosed |
| US-20120157461-A1 | Indolyl-Substituted Pyrazino-Quinolines and Their Use for the Treatment of Cancer | ONKILL AB (SE) | 2012-06-21 | — | — | US | disclosed |
| US-20110098311-A1 | COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES | Vertex Pharmaceuticals Incorported (US) | 2011-04-28 | — | — | US | disclosed |