⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL919698 | 0.67 | — | — | |
| SCHEMBL13336480 | 0.67 | — | — | |
| Cyclopentane SCHEMBL9241252 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL18695294 | 0.62 | — | — | |
| SCHEMBL31607449 | 0.61 | ALDH1A1 (0.35) | — | |
| SCHEMBL811834 | 0.61 | ALDH1A1 (0.35) | — | |
| SCHEMBL18300685 | 0.58 | — | — | |
| SCHEMBL920317 | 0.58 | — | — | |
| SCHEMBL7577171 | 0.53 | — | — | |
| SCHEMBL1495223 | 0.53 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1230227-B1 | BENZOXA-AND BENZOTHIAZOLYL SULFAMATES AND THEIR USE AS STEROID SULFATASE INHIBITORS | NOVARTIS AG (CH) | 2004-06-23 | — | — | EP | disclosed |
| US-6716865-B1 | SUBSTITUTED AT THE 2 POSITION; A SULFAMATE BOUND VIA OXYGEN TO THE PHENYL PART OF THE RING STRUCTURE; SULFAMOYLATION; STEROID SULFATASE INHIBITOR, ACNE | NOVARTIS AG (CH) | 2004-04-06 | — | — | US | disclosed |
| EP-1230227-A1 | BENZOXA-AND BENZOTHIAZOLYL SULFAMATES AND THEIR USE AS STEROID SULFATASE INHIBITORS | Novartis AG (CH) | 2002-08-14 | — | — | EP | disclosed |
| WO-2001036398-A1 | BENZOXA- AND BENZTHIAZOLES | NOVARTIS AG (CH) | 2001-05-25 | — | — | WO | disclosed |