⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL194603 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL15412898 | 0.74 | — | — | |
| SCHEMBL21560401 | 0.72 | — | — | |
| SCHEMBL156371 | 0.69 | — | — | |
| SCHEMBL531924 | 0.65 | — | — | |
| SCHEMBL8941598 | 0.63 | — | — | |
| SCHEMBL194298 | 0.63 | TRPA1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL28375754 | 0.63 | CYP1A2 (0.34) | — | |
| SCHEMBL2049439 | 0.63 | CYP1A2 (0.34) | — | |
| SCHEMBL24685537 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210238141-A1 | COMPOUND, CURING AGENT COMPOSITION, RESIN COMPOSITION, COATING COMPOSITION AND RESIN CURED PRODUCT | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2021-08-05 | — | — | US | disclosed |
| US-20050079999-A1 | Methods for controlling the viscosity of polymer-based tissue sealants and adhesives | WILKIE JAMES (US) | 2005-04-14 | — | — | US | disclosed |