⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7220719 | 0.74 | CYP3A4 (0.32) | — | |
| SCHEMBL28878164 | 0.73 | — | — | |
| SCHEMBL6138233 | 0.68 | — | — | |
| SCHEMBL545252 | 0.67 | — | — | |
| SCHEMBL5644679 | 0.64 | — | — | |
| SCHEMBL7206159 | 0.64 | — | — | |
| SCHEMBL1049806 | 0.62 | — | — | |
| SCHEMBL7638199 | 0.60 | — | — | |
| SCHEMBL1049678 | 0.59 | — | — | |
| SCHEMBL2456326 | 0.58 | TSHR (0.31) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150299163-A1 | COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES | IRBM - SCIENCE PARK S.P.A. (IT) | 2015-10-22 | — | — | US | claimed |
| US-9365541-B2 | Compounds for use in the treatment of parasitic diseases | IRBM—SCIENCE PARK S.P.A. (IT) | 2016-06-14 | — | — | US | disclosed |
| US-20150299163-A1 | COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES | IRBM - SCIENCE PARK S.P.A. (IT) | 2015-10-22 | — | — | US | disclosed |
| US-7183296-B2 | Anti-HIV pyrazole derivatives | ROCHE PALO ALTO LLC (US) | 2007-02-27 | — | — | US | disclosed |
| US-20040192752-A1 | Anti-HIV pyrazole derivatives | DYMOCK BRIAN WILLIAM (GB) | 2004-09-30 | — | — | US | disclosed |
| US-6699887-B2 | ADMINISTERING A THERAPEUTICALLY EFFECTIVE AMOUNT OF A PYRRAZOLE SULFIDE OR ETHER COMPOUND TO TREAT THE HUMAN IMMUNODEFICIENCY VIRUS INFECTION | HOFFMANN-LA ROCHE INC. | 2004-03-02 | — | — | US | disclosed |
| US-20030018197-A1 | Anti-HIV pyrazole derivatives | HOFFMANN-LA ROCHE INC. | 2003-01-23 | — | — | US | disclosed |