⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2076622 | 0.95 | CYP1A2 (0.46) | — | |
| SCHEMBL99023 | 0.93 | CYP1A2 (0.50) | — | |
| SCHEMBL21114293 | 0.93 | CYP1A2 (0.50) | — | |
| SCHEMBL21114329 | 0.93 | CYP1A2 (0.50) | — | |
| SCHEMBL21114296 | 0.93 | CYP1A2 (0.50) | — | |
| SCHEMBL8390899 | 0.93 | CYP1A2 (0.50) | — | |
| SCHEMBL21114237 | 0.93 | CYP1A2 (0.50) | — | |
| SCHEMBL21114257 | 0.93 | CYP1A2 (0.50) | — | |
| SCHEMBL4578412 | 0.90 | — | — | |
| SCHEMBL9669480 | 0.88 | SIGMAR1 (0.46) | — |
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-8062983-B1 | Creation of porosity in low-k films by photo-disassociation of imbedded nanoparticles | NOVELLUS SYSTEMS, INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-5541229-A | ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS | DR. KARL THOMAE GMBH (DE) | 1996-07-30 | — | — | US | disclosed |
| EP-0599265-A1 | Antibacterial, antifungal compound and its production method | Takeda Chemical Industries, Ltd. (JP) | 1994-06-01 | — | — | EP | disclosed |