⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL6989334 | 0.67 | NOS3 (0.31) | — | |
| SCHEMBL16701138 | 0.59 | FAAH (0.35) | — | |
| SCHEMBL6996056 | 0.57 | KCNN4 (0.30) | — | |
| SCHEMBL16700592 | 0.55 | FAAH (0.40) | — | |
| SCHEMBL15158325 | 0.54 | CES2 (0.33) | — | |
| SCHEMBL4246323 | 0.54 | — | — | |
| SCHEMBL2267527 | 0.53 | CHRM2 (0.30) | — | |
| SCHEMBL29368262 | 0.51 | FAAH (0.41) | — | |
| SCHEMBL2265540 | 0.49 | CHRM2 (0.31) | — | |
| Heptane SCHEMBL7045881 | 0.49 | FAAH (0.60) | — |
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-0927177-B1 | NOVEL BENZOTHIOPHENE DERIVATIVES, THEIR PREPARATION AND USE AS UROKINASE INHIBITORS | FUJISAWA PHARMACEUTICAL CO (JP) | 2003-11-26 | — | — | EP | disclosed |
| US-6093710-A | AN ENZYME INHIBITOR TREATING ANGIOGENESIS, ARTHRITIS, INFLAMMATION, METASTASIS, OSTEOPOROSIS, TUMORSANGIOGENESIS-DEPENDENT RETINOPATHIES, CONTRACEPTIVE | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-07-25 | — | — | US | disclosed |