⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11166997 | 1.00 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL11307896 | 1.00 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL518177 | 0.96 | — | — | |
| SCHEMBL18183400 | 0.93 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL90036 | 0.89 | — | — | |
| Water SCHEMBL17728195 | 0.83 | SMN1; SMN2 (0.46) | — | |
| Acetic Acid SCHEMBL15380790 | 0.82 | SMN1; SMN2 (0.36) | — | |
| Ethylene Thiourea SCHEMBL27860837 | 0.81 | SMN1; SMN2 (0.65) | — | |
| Ethylene Thiourea SCHEMBL41176 | 0.81 | — | — | |
| Ethylene Thiourea SCHEMBL18426656 | 0.77 | SMN1; SMN2 (0.61) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5504189-A | HEXAPEPTIDES; ANTITUMOR AGENTS | BASF AKTIENGESELLSCHAFT (DE) | 1996-04-02 | — | — | US | disclosed |
| US-4393004-A | DUIRETICS | AMERICAN CYANAMID COMPANY (US) | 1983-07-12 | — | — | US | disclosed |
| US-4347248-A | DIURETICS | AMERICAN CYANAMID COMPANY (US) | 1982-08-31 | — | — | US | disclosed |
| US-4340734-A | DIURETICS | AMERICAN CYANAMID COMPANY (US) | 1982-07-20 | — | — | US | disclosed |
| US-4325955-A | DIURETICS | AMERICAN CYANAMID COMPANY (US) | 1982-04-20 | — | — | US | disclosed |
| US-4283334-A | DIURETICS | AMERICAN CYANAMID COMPANY (US) | 1981-08-11 | — | — | US | disclosed |