⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL244747 | 0.85 | — | — | |
| Fluoride SCHEMBL8841037 | 0.80 | — | — | |
| Ethylene SCHEMBL454696 | 0.76 | — | — | |
| Benzene SCHEMBL7529646 | 0.73 | — | — | |
| Cyclopropane SCHEMBL4892702 | 0.60 | — | — | |
| SCHEMBL1651208 | 0.53 | — | — | |
| Cyclohexane SCHEMBL23142614 | 0.52 | ALDH1A1 (0.33) | — | |
| SCHEMBL161597 | 0.52 | ALDH1A1 (0.33) | — | |
| SCHEMBL13468315 | 0.52 | ALDH1A1 (0.33) | — | |
| Cyclooctane SCHEMBL31262 | 0.52 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5670299-A | COATING A PHOTORESISTS POLYMER ON A SUBSTRATE, DEVELOPMENT AND HEAT TREATMENT | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 1997-09-23 | — | — | US | disclosed |