⚠ 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 SCHEMBL28844458 | 0.97 | TSHR (0.35) | — | |
| SCHEMBL10532440 | 0.92 | DNM1 (0.40) | — | |
| SCHEMBL9548172 | 0.90 | DNM1 (0.44) | — | |
| SCHEMBL9363130 | 0.83 | — | — | |
| SCHEMBL27210153 | 0.81 | — | — | |
| SCHEMBL9548167 | 0.77 | CA1 (0.33) | — | |
| SCHEMBL331155 | 0.76 | MMP1 (0.38) | — | |
| SCHEMBL43802 | 0.76 | CA12 (0.36) | — | |
| SCHEMBL10575762 | 0.75 | SPHK1 (0.49) | — | |
| Pentane SCHEMBL6872154 | 0.75 | TSHR (0.44) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117321111-A | Polyurethane resin composition, cured product, artificial leather, synthetic leather, and surface treatment agent for leather | 东曹株式会社 | 2023-12-29 | — | — | CN | disclosed |
| EP-1057843-B1 | Aqueous emulsion, process for producing the same and aqueous paint and aqueous printing ink comprising the same | NIPPON POLYURETHANE KOGYO KK (JP) | 2004-09-15 | — | — | EP | disclosed |
| US-6309507-B1 | HEAT RESISTANCE, DURABILITY; HIGH BONDING STRENGTH TO METAL FOILS AND POLYOLEFINS | NIPPON POLYURETHANE INDUSTRY CO., LTD. (JP) | 2001-10-30 | — | — | US | disclosed |
| US-6306947-B1 | Printing ink and paint composed of an aqueous emulsion of self-emulsifiable urethane copolymer | NIPPON POLYURETHANE INDUSTRY CO., LTD. (JP) | 2001-10-23 | — | — | US | disclosed |
| EP-1057843-A1 | Aqueous emulsion, process for producing the same and aqueous paint and aqueous printing ink comprising the same | NIPPON POLYURETHANE INDUSTRY CO. LTD. (JP) | 2000-12-06 | — | — | EP | disclosed |
| US-5240630-A | Refrigeration compositions containing diester-amides of dialkanolamines | ETHYL CORPORATION (US) | 1993-08-31 | — | — | US | disclosed |