⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18395866 | 0.79 | — | — | |
| SCHEMBL37915 | 0.74 | ALDH1A1 (0.42) | — | |
| SCHEMBL28309236 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL18395870 | 0.73 | LMNA (0.30) | — | |
| Ethylene SCHEMBL8679123 | 0.72 | ALDH1A1 (0.41) | — | |
| SCHEMBL28041979 | 0.72 | ALDH1A1 (0.38) | — | |
| Acrylic Acid SCHEMBL5888690 | 0.72 | LMNA (0.39) | — | |
| SCHEMBL7869276 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL15606841 | 0.70 | — | — | |
| SCHEMBL29155 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024029565-A1 | WEARABLE SENSOR | 東ソー株式会社 | 2024-02-08 | — | — | WO | disclosed |
| WO-2023190307-A1 | BUTANE DIISOCYANATE DERIVATIVE, METHOD FOR PRODUCING BUTANE DIISOCYANATE DERIVATIVE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN FORMING COMPOSITION, COATING COMPOSITION AND COATING FILM | 東ソー株式会社 | 2023-10-05 | — | — | WO | disclosed |
| WO-2023171762-A1 | FLEXIBLE POLYURETHANE FOAM | 東ソー株式会社 | 2023-09-14 | — | — | WO | disclosed |
| WO-2023171766-A1 | COMPOSITION FOR FLEXIBLE POLYURETHANE FOAM FORMATION AND FLEXIBLE POLYURETHANE FOAM | 東ソー株式会社 | 2023-09-14 | — | — | WO | disclosed |
| CN-100381517-C | Coating composition and coating article | ASAHI GLASS CO LTD (JP) | 2008-04-16 | — | — | CN | disclosed |
| CN-1536038-A | Coating composition and coating article | 旭硝子株式会社 | 2004-10-13 | — | — | CN | disclosed |