⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14556395 | 1.00 | — | — | |
| SCHEMBL1007642 | 0.80 | — | — | |
| SCHEMBL1007641 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL31554807 | 0.76 | NOS1 (0.51) | — | |
| SCHEMBL24167503 | 0.75 | NOS1 (0.55) | — | |
| SCHEMBL27304431 | 0.75 | — | — | |
| SCHEMBL14049610 | 0.74 | — | — | |
| SCHEMBL15818576 | 0.74 | CES2 (0.56) | — | |
| SCHEMBL7323784 | 0.74 | NOS1 (0.45) | — | |
| SCHEMBL15818574 | 0.74 | CES2 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6515002-B2 | 4-(4-(1-phenyl-5-propylpyrazol4-yl)(1,3-thiazol-2-yl))-5 -methylthiothiophene-2-carboxamidine, for example; complement inhibitors; treating tissue damage, inflammation, or autoimmune diseases | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2003-02-04 | — | — | US | disclosed |
| US-6403633-B2 | USEFUL ANTIANGIOGENIC, ANTIARTHRITIC, ANTIINFLAMMATORY, ANTIRESTENOTIC, ANTIINVASIVE, ANTIMETASTIC, ANTIOSTEOPOROTIC, ANTIRETINOPATHIC, CONTRACEPTIVE AND TUMORISTATIC TREATMENT AGENTS | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2002-06-11 | — | — | US | disclosed |
| US-6291514-B1 | Heteroaryl amidines, methylamidines and guanidines, preparation thereof, and use thereof as protease inhibitors | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2001-09-18 | — | — | US | disclosed |