⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL33525552 | 0.88 | — | — | |
| SCHEMBL33525680 | 0.67 | BLM (0.30) | — | |
| SCHEMBL18609905 | 0.66 | — | — | |
| SCHEMBL11204686 | 0.64 | — | — | |
| SCHEMBL6704381 | 0.64 | — | — | |
| SCHEMBL6060170 | 0.64 | — | — | |
| SCHEMBL25075657 | 0.63 | — | — | |
| SCHEMBL25075752 | 0.63 | — | — | |
| SCHEMBL25075660 | 0.63 | TDP1 (0.30) | — | |
| SCHEMBL198981 | 0.62 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5654294-A | CARDIOVASCULAR DISORDERS | BRISTOL-MYERS SQUIBB (US) | 1997-08-05 | — | — | US | disclosed |
| US-5646276-A | ANGIOTENSIN CONVERTING ENZYME AND NEUTRAL ENDOPEPTIDASE INHIBITORS; CARDIOVASCULAR DISORDERS | BRISTOL-MYERS SQUIBB CO. (US) | 1997-07-08 | — | — | US | disclosed |
| US-5552397-A | HYPOTENSIVE AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1996-09-03 | — | — | US | disclosed |