⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1845 | 0.94 | — | — | |
| SCHEMBL7424166 | 0.94 | TTR (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL25278411 | 0.91 | — | — | |
| SCHEMBL30772879 | 0.91 | — | — | |
| SCHEMBL14957795 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL3502043 | 0.91 | — | — | |
| Water SCHEMBL180052 | 0.91 | — | — | |
| SCHEMBL29137967 | 0.91 | — | — | |
| SCHEMBL7886402 | 0.91 | — | — | |
| Water SCHEMBL5697468 | 0.91 | — | — |
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-6255333-B1 | HUMANS OR ANIMALS | PFIZER INC. | 2001-07-03 | — | — | US | disclosed |
| US-5827868-A | Prostaglandin analogs | E. R. SQUIBB & SONS, INC. (US) | 1998-10-27 | — | — | US | disclosed |
| US-5641784-A | ADENOSINE ANTAGONISTS; TREATMENT OF NERVOUS SYSTEM DISORDERS, ALZHEIMER'S DISEASE | BOEHRINGER INGELHEIM KG (DE) | 1997-06-24 | — | — | US | disclosed |
| EP-0536713-A1 | Oxazole and imidazole derivatives as prostaglandin analogs | E.R. SQUIBB & SONS, INC. (US) | 1993-04-14 | — | — | EP | disclosed |