⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18052957 | 0.86 | ACACB (0.35) | — | |
| SCHEMBL17452807 | 0.81 | CYP19A1 (0.39) | — | |
| SCHEMBL17170040 | 0.77 | — | — | |
| SCHEMBL22434887 | 0.73 | CASP1 (0.34) | — | |
| SCHEMBL22434888 | 0.70 | CASP1 (0.34) | — | |
| SCHEMBL22434879 | 0.66 | CASP1 (0.45) | — | |
| SCHEMBL18052951 | 0.66 | ALDH1A1 (0.36) | — | |
| SCHEMBL15704594 | 0.65 | CASP1 (0.41) | — | |
| SCHEMBL18054330 | 0.64 | ACACB (0.35) | — | |
| SCHEMBL24136205 | 0.61 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170088544-A1 | SUBSTITUTED INDOL-5-OL DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS | NANTBIO, INC. | 2017-03-30 | — | — | US | disclosed |