⚠ 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 | |
|---|---|---|---|---|
| Formaldehyde SCHEMBL4401788 | 0.95 | — | — | |
| SCHEMBL129372 | 0.89 | — | — | |
| SCHEMBL3007652 | 0.84 | — | — | |
| SCHEMBL31332234 | 0.84 | — | — | |
| SCHEMBL21301 | 0.73 | — | — | |
| SCHEMBL9419844 | 0.73 | TRPA1 (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL15969117 | 0.70 | — | — | |
| Ethylene SCHEMBL17838321 | 0.70 | — | — | |
| SCHEMBL5466451 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL10839055 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0414506-B1 | Toner and developer compositions with charge enhancing additives | XEROX CORP (US) | 1995-12-13 | — | — | EP | claimed |
| EP-0197684-A2 | Reduction of water permeability of subterranean formation | HALLIBURTON COMPANY (US) | 1986-10-15 | — | — | EP | claimed |
| WO-2021162071-A1 | METHOD FOR RECOVERING HIGHLY WATER ABSORBENT RESIN | 株式会社日本触媒 | 2021-08-19 | — | — | WO | disclosed |
| EP-0892111-B1 | Aqueous suspensions from mineral materials and their uses | MONDO MINERALS OY (FI) | 2008-08-06 | — | — | EP | disclosed |