⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28456122 | 0.94 | TRPA1 (0.33) | — | |
| SCHEMBL22755942 | 0.75 | — | — | |
| SCHEMBL11972871 | 0.75 | LMNA (0.39) | — | |
| SCHEMBL11972872 | 0.75 | LMNA (0.39) | — | |
| SCHEMBL7595437 | 0.75 | TSHR (0.35) | — | |
| SCHEMBL25909520 | 0.75 | — | — | |
| SCHEMBL21761635 | 0.72 | FAAH (0.37) | — | |
| SCHEMBL32675932 | 0.71 | CES1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL28454670 | 0.71 | — | — | |
| SCHEMBL7593683 | 0.71 | TRPA1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0809671-A1 | RIGID POLYURETHANE FOAMS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1997-12-03 | — | — | EP | disclosed |
| WO-1996025455-A1 | RIGID POLYURETHANE FOAMS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1996-08-22 | — | — | WO | disclosed |
| EP-0690902-A1 | METHOD OF SUPPRESSING MIST FORMATION FROM OIL-CONTAINING FUNCTIONAL FLUIDS | EXXON CHEMICAL PATENTS INC (US) | 1996-01-10 | — | — | EP | disclosed |