⚠ 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 | |
|---|---|---|---|---|
| Cyclohexane SCHEMBL27819461 | 1.00 | LMNA (0.77) | — | |
| Acrylic Acid SCHEMBL28255213 | 1.00 | — | — | |
| Cyclohexane SCHEMBL30181158 | 1.00 | LMNA (0.77) | — | |
| Cyclopentane SCHEMBL29560097 | 1.00 | LMNA (0.77) | — | |
| Cyclohexane SCHEMBL29438320 | 1.00 | LMNA (0.77) | — | |
| Acrylic Acid SCHEMBL29389193 | 1.00 | LMNA (0.77) | — | |
| Cyclopentane SCHEMBL23533982 | 1.00 | LMNA (0.77) | — | |
| Acrylic Acid SCHEMBL31202877 | 1.00 | LMNA (0.77) | — | |
| Acrylic Acid SCHEMBL8851935 | 1.00 | LMNA (0.77) | — | |
| Acrylic Acid SCHEMBL28040329 | 1.00 | LMNA (0.77) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111119943-B | Combined grouting structure and grouting method suitable for quickly plugging tunnel leakage | 长江勘测规划设计研究有限责任公司 | 2025-03-11 | — | — | CN | disclosed |
| US-20120132104-A1 | DENTAL MATERIALS CONTAINING ANTIMICROBIAL AGENTS, PARTICULARLY FOR THE PREVENTION OF PLAQUE DEPOSITS | HERAEUS KULZER GMBH (DE) | 2012-05-31 | — | — | US | disclosed |