⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Sulfide SCHEMBL28323707 | 0.77 | FAAH (0.35) | — | |
| SCHEMBL1829946 | 0.77 | — | — | |
| SCHEMBL2920270 | 0.71 | — | — | |
| SCHEMBL41955 | 0.71 | — | — | |
| SCHEMBL6624601 | 0.71 | FAAH (0.32) | — | |
| SCHEMBL565830 | 0.69 | FAAH (0.31) | — | |
| SCHEMBL2918478 | 0.67 | — | — | |
| SCHEMBL2918687 | 0.67 | — | — | |
| SCHEMBL2914794 | 0.65 | USP2 (0.31) | — | |
| SCHEMBL4744813 | 0.65 | MGLL (0.35) | — |
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-1121129-B1 | METHOD FOR TREATING DIABETES EMPLOYING AN aP2 INHIBITOR AND ASSOCIATED COMBINATIONS | BRISTOL MYERS SQUIBB CO (US) | 2008-09-03 | — | — | EP | claimed |
| WO-1996035678-A1 | ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE | PHARMACIA & UPJOHN COMPANY (US) | 1996-11-14 | — | — | WO | claimed |
| US-5215967-A | AMINOACID DERIVATIVES INHIBITING RENIN | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-06-01 | — | — | US | disclosed |
| EP-0371390-A2 | Amino acid derivatives | MERCK PATENT GmbH (DE) | 1990-06-06 | — | — | EP | disclosed |