⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4722845 | 0.63 | — | — | |
| SCHEMBL8299385 | 0.61 | NISCH (0.38) | — | |
| SCHEMBL16295671 | 0.60 | — | — | |
| SCHEMBL4721756 | 0.58 | GBA1 (0.35) | — | |
| SCHEMBL4764157 | 0.57 | — | — | |
| SCHEMBL7032626 | 0.57 | FAAH (0.31) | — | |
| SCHEMBL5664401 | 0.57 | — | — | |
| SCHEMBL20602645 | 0.57 | USP9X (0.37) | — | |
| SCHEMBL4724016 | 0.56 | HCAR3 (0.35) | — | |
| SCHEMBL6641400 | 0.56 | — | — |
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-0719139-A1 | USE OF CENTRALLY ACTIVE ALPHAAGONISTS FOR INHIBING POSTRAUMATIC METABOLIC STRESS | Dr. Karl Thomae GmbH (DE) | 1996-07-03 | — | — | EP | disclosed |
| WO-1995003798-A2 | USE OF CENTRALLY EFFECTIVE α-2 AGONISTS FOR INHIBITING POSTAGGRESSION METABOLISM | BOEHRINGER INGELHEIM INT (DE) | 1995-02-09 | — | — | WO | disclosed |