⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28273085 | 0.70 | — | — | |
| SCHEMBL2915330 | 0.62 | — | — | |
| SCHEMBL2536922 | 0.59 | — | — | |
| SCHEMBL2919320 | 0.58 | — | — | |
| SCHEMBL2536547 | 0.58 | — | — | |
| SCHEMBL1515143 | 0.58 | — | — | |
| SCHEMBL19467767 | 0.57 | — | — | |
| SCHEMBL103880 | 0.57 | — | — | |
| SCHEMBL5909567 | 0.57 | CHRNB2 (0.50) | — | |
| SCHEMBL14341678 | 0.57 | CHRNB2 (0.62) | — |
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-20200247794-A1 | PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 | MANGOSUTHU UNIVERSITY TECHNOLOGY (ZA) | 2020-08-06 | — | — | US | disclosed |