⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11047546 | 0.97 | EPHX1 (0.31) | — | |
| SCHEMBL818571 | 0.86 | — | — | |
| SCHEMBL8145672 | 0.75 | — | — | |
| SCHEMBL8145838 | 0.73 | EPHX1 (0.33) | — | |
| SCHEMBL23271 | 0.72 | — | — | |
| SCHEMBL11743495 | 0.69 | CYP1A2 (0.36) | — | |
| SCHEMBL9386898 | 0.69 | THRB (0.36) | — | |
| SCHEMBL7741586 | 0.69 | EPHX1 (0.48) | — | |
| SCHEMBL133604 | 0.69 | EPHX1 (0.33) | — | |
| SCHEMBL5534056 | 0.69 | ALDH1A1 (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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109803992-B | Isocyanate composition and method for producing isocyanate polymer | 旭化成株式会社 | 2022-05-24 | — | — | CN | disclosed |
| CN-109843963-B | Isocyanate composition, method for producing isocyanate polymer, and isocyanate polymer | 旭化成株式会社 | 2022-05-13 | — | — | CN | disclosed |
| EP-3536683-B1 | POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION | ASAHI CHEMICAL IND (JP) | 2021-11-24 | — | — | EP | disclosed |
| US-11174337-B2 | Isocyanate composition, method for producing isocyanate polymer and isocyanate polymer | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2021-11-16 | — | — | US | disclosed |
| CN-107963982-B | Polyisocyanate composition and isocyanate polymer composition | 旭化成株式会社 | 2021-11-12 | — | — | CN | disclosed |
| EP-3372579-B1 | POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION | ASAHI CHEMICAL IND (JP) | 2020-10-28 | — | — | EP | disclosed |
| EP-2915803-B1 | POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION | ASAHI CHEMICAL IND (JP) | 2020-07-22 | — | — | EP | disclosed |
| US-20200048405-A1 | ISOCYANATE COMPOSITION, METHOD FOR PRODUCING ISOCYANATE POLYMER AND ISOCYANATE POLYMER | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2020-02-13 | — | — | US | disclosed |
| EP-3536683-A1 | POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION | Asahi Kasei Kabushiki Kaisha (JP) | 2019-09-11 | — | — | EP | disclosed |
| EP-3527603-A1 | ISOCYANATE COMPOSITION, ISOCYANATE POLYMER PRODUCTION METHOD, AND ISOCYANATE POLYMER | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2019-08-21 | — | — | EP | disclosed |
| US-10301417-B2 | Polyisocyanate composition and isocyanate polymer composition | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2019-05-28 | — | — | US | disclosed |
| US-10125212-B2 | Polyisocyanate composition and isocyanate polymer composition | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2018-11-13 | — | — | US | disclosed |
| EP-3372579-A1 | POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION | Asahi Kasei Kabushiki Kaisha (JP) | 2018-09-12 | — | — | EP | disclosed |
| US-20170298169-A1 | Polyisocyanate Composition and Isocyanate Polymer Composition | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2017-10-19 | — | — | US | disclosed |
| EP-2915803-A1 | POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION | Asahi Kasei Chemicals Corporation (JP) | 2015-09-09 | — | — | EP | disclosed |
| US-20150210631-A1 | Polyisocyanate Composition and Isocyanate Polymer Composition | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2015-07-30 | — | — | US | disclosed |