⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29611276 | 1.00 | ALDH1A1 (0.46) | — | |
| SCHEMBL187076 | 1.00 | — | — | |
| SCHEMBL10537213 | 1.00 | — | — | |
| Toluene SCHEMBL27927346 | 0.82 | PIN1 (0.49) | — | |
| SCHEMBL3360225 | 0.81 | — | — | |
| SCHEMBL544994 | 0.81 | — | — | |
| SCHEMBL1783372 | 0.81 | — | — | |
| SCHEMBL2559952 | 0.80 | OR51E2 (0.40) | — | |
| SCHEMBL17080322 | 0.80 | ALDH1A1 (0.42) | — | |
| SCHEMBL18175970 | 0.80 | ALDH1A1 (0.54) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004087646-A2 | PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES | MERCK PATENT GMBH (DE) | 2004-10-14 | — | — | WO | disclosed |