⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9699643 | 0.85 | MEN1 (0.30) | — | |
| SCHEMBL9813460 | 0.82 | CYP4F2 (0.40) | — | |
| SCHEMBL9699720 | 0.82 | TAAR1 (0.36) | — | |
| SCHEMBL9813441 | 0.82 | MEN1 (0.38) | — | |
| Bromide SCHEMBL9718283 | 0.80 | IDO1 (0.37) | — | |
| SCHEMBL10693312 | 0.78 | SPHK2 (0.31) | — | |
| SCHEMBL10393872 | 0.74 | CNR1 (0.31) | — | |
| SCHEMBL10633019 | 0.73 | MEN1 (0.33) | — | |
| SCHEMBL10392875 | 0.72 | VDR (0.31) | — | |
| SCHEMBL9700881 | 0.72 | S1PR2 (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5106991-A | Geminally substituted thiaheterocyclic carboxylic acids and derivatives thereof | E. R. SQUIBB & SONS, INC. (US) | 1992-04-21 | — | — | US | disclosed |
| EP-0400584-A2 | Geminally substituted thiaheterocyclic carboxylic acids and derivatives thereof | E.R. SQUIBB & SONS, INC. (US) | 1990-12-05 | — | — | EP | disclosed |
| US-4975452-A | Geminally substituted thiaheterocyclic carboxylic acids and derivatives thereof | E. R. SQUIBB & SONS, INC. (US) | 1990-12-04 | — | — | US | disclosed |
| US-4783473-A | ANTICOAGULANTS, VASODILATORS, BRONCHODILATORS | E. R. SQUIBB & SONS, INC. (US) | 1988-11-08 | — | — | US | disclosed |