⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5655242 | 0.88 | — | — | |
| SCHEMBL19420330 | 0.82 | — | — | |
| SCHEMBL13444937 | 0.78 | OPRK1 (0.30) | — | |
| SCHEMBL16411251 | 0.78 | SHBG (0.39) | — | |
| SCHEMBL17592627 | 0.77 | SMYD3 (0.33) | — | |
| SCHEMBL19420333 | 0.77 | ESR1 (0.31) | — | |
| SCHEMBL11313771 | 0.77 | — | — | |
| SCHEMBL17592557 | 0.77 | SMYD3 (0.33) | — | |
| SCHEMBL11306912 | 0.77 | ESR1 (0.31) | — | |
| SCHEMBL19103036 | 0.77 | NCF1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3556367-A1 | BENZOSULFONAMIDE DERIVATIVES, COMPOSITIONS THEREOF, AND THEIR USE IN THE TREATMENT OF CANCER OR METASTASIS | Aerpio Therapeutics, Inc. (US) | 2019-10-23 | — | — | EP | disclosed |
| US-20170283651-A1 | COATING COMPOSITIONS FOR USE WITH AN OVERCOATED PHOTORESIST | DUPONT SPECIALTY MATERIALS KOREA LTD (KR) | 2017-10-05 | — | — | US | disclosed |