⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12853923 | 0.67 | — | — | |
| SCHEMBL104763 | 0.67 | PYCR1 (0.40) | — | |
| SCHEMBL17123709 | 0.65 | — | — | |
| SCHEMBL8306547 | 0.64 | — | — | |
| SCHEMBL9215139 | 0.64 | — | — | |
| SCHEMBL469442 | 0.61 | — | — | |
| SCHEMBL313460 | 0.61 | — | — | |
| SCHEMBL9753489 | 0.61 | CA12 (0.38) | — | |
| SCHEMBL1049888 | 0.61 | — | — | |
| SCHEMBL8392822 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040192780-A1 | Alkylaminoalkyl-terminated sulfide/sulfonyl-containing propargyl amino-diol compounds for treatment of hypertension | G.D. SEARLE & CO. | 2004-09-30 | — | — | US | disclosed |
| US-20030236201-A1 | Alkylaminoalkyl-terminated sulfide/sulfonyl-containing propargyl amino-diol compounds for treatment of hypertension | G.D. SEARLE & CO. | 2003-12-25 | — | — | US | disclosed |
| US-20020010214-A1 | Alkylaminoalkyl-terminated sulfide/sulfonyl-containing propargyl amino-diol compounds for treatment of hypertension | G.D. SEARLE & CO. | 2002-01-24 | — | — | US | disclosed |
| US-6291529-B1 | RENIN INHIBITORS; TREATING GLAUCOMA | G. D. SEARLE & CO. | 2001-09-18 | — | — | US | disclosed |
| US-5488067-A | Alkylaminoalkyl-terminated sulfide/sulfonyl-containing propargyl amino-diol compounds for treatment of hypertension | G. D. SEARLE & CO. (US) | 1996-01-30 | — | — | US | disclosed |
| US-5414018-A | Alkylaminoalkyl-terminated sulfide/sulfonyl-containing propargyl amino-diol compounds for treatment of hypertension | G. D. SEARLE & CO. (US) | 1995-05-09 | — | — | US | disclosed |
| WO-1995008531-A1 | ALKYLAMINOALKYL-TERMINATED SULFIDE/SULFONYL-CONTAINING PROPARGYL AMINO-DIOL COMPOUNDS FOR TREATMENT OF HYPERTENSION | G.D. SEARLE & CO. (US) | 1995-03-30 | — | — | WO | disclosed |