⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2981261 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL11691810 | 0.82 | — | — | |
| SCHEMBL8267051 | 0.75 | — | — | |
| Bromide SCHEMBL11506566 | 0.73 | — | — | |
| SCHEMBL35675 | 0.72 | — | — | |
| SCHEMBL1312234 | 0.71 | — | — | |
| SCHEMBL8290179 | 0.70 | — | — | |
| SCHEMBL20865754 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL28745452 | 0.70 | — | — | |
| SCHEMBL8339204 | 0.70 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004020435-A1 | PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS | JANSSEN PHARMACEUTICA N.V. (BE) | 2004-03-11 | — | — | WO | disclosed |
| US-4156735-A | SALIDIURETICS | HOECHST AKTIENGESELLSCHAFT (DE) | 1979-05-29 | — | — | US | disclosed |
| US-4118501-A | SALIDIURETIC ACTIVITY | HOECHST AKTIENGESELLSCHAFT (DE) | 1978-10-03 | — | — | US | disclosed |
| US-4055647-A | Condensed pyrrole mercapto compounds having hypotensive and decongestant properties | CIBA-GEIGY CORPORATION (US) | 1977-10-25 | — | — | US | disclosed |
| US-3954757-A | OPHTHALMOLOGICAL, HYPOTENSIVES, VASOCONSTRICTORS, DECONGESTANTS | CIBA-GEIGY CORPORATION (US) | 1976-05-04 | — | — | US | disclosed |