⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12136882 | 0.77 | CHRNB2 (0.36) | — | |
| SCHEMBL966616 | 0.75 | — | — | |
| SCHEMBL15137246 | 0.73 | — | — | |
| SCHEMBL2736118 | 0.73 | — | — | |
| SCHEMBL2736117 | 0.71 | — | — | |
| SCHEMBL888815 | 0.69 | CHRNB2 (0.30) | — | |
| SCHEMBL888818 | 0.69 | CHRNB2 (0.30) | — | |
| SCHEMBL12937991 | 0.69 | CHRNB2 (0.30) | — | |
| SCHEMBL969637 | 0.69 | — | — | |
| SCHEMBL11408694 | 0.69 | NQO1 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8148374-B2 | Concurrent administering of drugs; side effect reduction | GILEAD SCIENCES, INC. (US) | 2012-04-03 | — | — | US | disclosed |
| US-8088770-B2 | Modulators of pharmacokinetic properties of therapeutics | GILEAD SCIENCES, INC. (US) | 2012-01-03 | — | — | US | disclosed |
| US-7939553-B2 | Modulators of pharmacokinetic properties of therapeutics | GILEAD SCIENCES, INC. (US) | 2011-05-10 | — | — | US | disclosed |
| US-20090181902-A1 | Modulators of pharmacokinetic properties of therapeutics | GILEAD SCIENCES,INC. (US) | 2009-07-16 | — | — | US | disclosed |
| US-20080207620-A1 | MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS | GILEAD SCIENCES, INC. | 2008-08-28 | — | — | US | disclosed |
| US-20080108617-A1 | co-administered drug (as HIV protease inhibiting compound, an HIV (non)nucleoside/nucleotide inhibitor of reverse transcriptase, capsid polymerization inhibitor, interferon, ribavirin analog) by inhibiting cytochrome P450 monooxygenase; ureido- or amido-amine derivatives; side effect reduction | GILEAD SCIENCES, INC. | 2008-05-08 | — | — | US | disclosed |