⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7328318 | 0.74 | KMT2A (0.31) | — | |
| SCHEMBL24328855 | 0.62 | — | — | |
| SCHEMBL29130638 | 0.61 | TSHR (0.30) | — | |
| SCHEMBL9314228 | 0.59 | — | — | |
| SCHEMBL8641166 | 0.58 | — | — | |
| SCHEMBL9065956 | 0.57 | — | — | |
| SCHEMBL9851278 | 0.57 | TP53 (0.38) | — | |
| SCHEMBL29252892 | 0.56 | PDK2 (0.33) | — | |
| SCHEMBL1499942 | 0.56 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL940354 | 0.55 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0958275-A4 | SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 | UNIV VANDERBILT (US) | 2004-12-01 | — | — | EP | disclosed |
| US-6284918-B1 | ENZYME INHIBITORS | VANDERBILT UNIVERSITY | 2001-09-04 | — | — | US | disclosed |
| EP-0958275-A1 | SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 | VANDERBILT UNIVERSITY (US) | 1999-11-24 | — | — | EP | disclosed |
| US-5973191-A | AN ACETOXYPHENYLALKYL SULFIDE, SALT OR HYDRATE | VANDERBILT UNIVERSITY (US) | 1999-10-26 | — | — | US | disclosed |
| WO-1998029382-A1 | SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 | VANDERBILT UNIVERSITY (US) | 1998-07-09 | — | — | WO | disclosed |