⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11121765 | 1.00 | — | — | |
| SCHEMBL302175 | 0.96 | TSHR (0.31) | — | |
| Cyclohexane SCHEMBL11266392 | 0.90 | — | — | |
| SCHEMBL13107631 | 0.86 | — | — | |
| SCHEMBL15144926 | 0.86 | SELP (0.34) | — | |
| SCHEMBL11119707 | 0.85 | ALDH1A1 (0.35) | — | |
| SCHEMBL6036087 | 0.83 | — | — | |
| SCHEMBL15283873 | 0.81 | — | — | |
| SCHEMBL981922 | 0.79 | — | — | |
| SCHEMBL11120991 | 0.79 | SELP (0.34) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0036899-B1 | THERMOCHROMIC POLYACETYLENIC COMPOSITION, PROCESS THEREFOR, TEMPERATURE MEASURING AND INDICIA DISPLAYING DEVICES AND PROCESS FOR RECORDING AND THEREAFTER ERASING IMAGES | ALLIED CORPORATION (US) | 1984-08-01 | — | — | EP | disclosed |
| US-4339951-A | Tempeature measurement and display of indicia using thermochromic polyacetylenes | ALLIED CORPORATION (US) | 1982-07-20 | — | — | US | disclosed |
| EP-0036899-A1 | Thermochromic polyacetylenic composition, process therefor, temperature measuring and indicia displaying devices and process for recording and thereafter erasing images | ALLIED CORPORATION (US) | 1981-10-07 | — | — | EP | disclosed |
| US-4242440-A | Thermochromic polyacetylenes used in laser beam recording method | ALLIED CHEMICAL CORPORATION (US) | 1980-12-30 | — | — | US | disclosed |
| US-4215208-A | Thermochromic polyacetylenes containing urethane groups | ALLIED CHEMICAL CORPORATION (US) | 1980-07-29 | — | — | US | disclosed |