⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14095422 | 0.71 | CYP19A1 (0.39) | — | |
| SCHEMBL154764 | 0.71 | — | — | |
| SCHEMBL19706447 | 0.71 | — | — | |
| SCHEMBL21165728 | 0.71 | CA12 (0.33) | — | |
| SCHEMBL12243871 | 0.70 | CA12 (0.40) | — | |
| Hydrochloric Acid SCHEMBL20548540 | 0.70 | CYP19A1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL20548542 | 0.70 | CYP19A1 (0.38) | — | |
| SCHEMBL10933788 | 0.68 | SLC7A5 (0.41) | — | |
| SCHEMBL14095447 | 0.68 | SLC7A5 (0.41) | — | |
| SCHEMBL182084 | 0.68 | SLC7A5 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021198981-A1 | ANTIVIRAL COMPOUNDS AND USES THEREOF | Janssen Biopharma, Inc. (US) | 2021-10-07 | — | — | WO | disclosed |