⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2369620 | 1.00 | — | — | |
| SCHEMBL14452969 | 1.00 | — | — | |
| SCHEMBL677379 | 1.00 | — | — | |
| SCHEMBL421189 | 1.00 | — | — | |
| SCHEMBL3848040 | 1.00 | — | — | |
| SCHEMBL16421365 | 1.00 | — | — | |
| SCHEMBL421076 | 1.00 | — | — | |
| SCHEMBL1360660 | 1.00 | — | — | |
| SCHEMBL20833033 | 0.97 | CA1 (0.42) | — | |
| SCHEMBL22260373 | 0.97 | CA1 (0.42) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170114047-A1 | COMPOUNDS | PULMOCIDE LIMITED (GB) | 2017-04-27 | — | — | US | disclosed |
| WO-2016185225-A1 | ANTIFUNGAL 4-(4-(4-(((3R,5R)-5-((1 H -1,2,4-TRIAZOL-1 -YL)METHYL)-5-(2,4-DIFLUOROPHENYL)TETRAHYDROFURAN-3-YL)METHOXY)- 3-METHYLPHENYL)PIPERAZIN-1 -YL )-N -(2-H YD ROXYCYC LO H EXYL) B E NZAM I D E, OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF. | PULMOCIDE LIMITED (GB) | 2016-11-24 | — | — | WO | disclosed |