⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL319031 | 0.97 | — | — | |
| Acetic Acid SCHEMBL319521 | 0.84 | BBOX1 (0.40) | — | |
| Formic Acid SCHEMBL2680471 | 0.84 | BBOX1 (0.31) | — | |
| L-Lactic Acid SCHEMBL11395170 | 0.81 | BBOX1 (0.38) | — | |
| SCHEMBL993288 | 0.76 | — | — | |
| SCHEMBL16418092 | 0.75 | — | — | |
| SCHEMBL20333819 | 0.75 | TSHR (0.35) | — | |
| Hydrochloric Acid SCHEMBL5715235 | 0.73 | TSHR (0.43) | — | |
| SCHEMBL18395249 | 0.72 | TSHR (0.35) | — | |
| SCHEMBL5944545 | 0.72 | — | — |
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 284 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118146486-A | Polyisocyanate composition containing isocyanurate structure with low color number, and preparation method and application thereof | 万华化学集团股份有限公司 | 2024-06-07 | — | — | CN | claimed |
| WO-2022061704-A1 | STORAGE-STABLE POLYISOCYANATE COMPOSITION AND PREPARATION METHOD THEREFOR | 万华化学集团股份有限公司 | 2022-03-31 | — | — | WO | claimed |
| CN-114249868-A | Polyisocyanate composition with stable storage and preparation method thereof | 万华化学集团股份有限公司 | 2022-03-29 | — | — | CN | claimed |
| EP-1777242-B1 | Polyurethane foams for insulating pipes | BASF SE (DE) | 2008-07-23 | — | — | EP | claimed |
| EP-4190832-B1 | POLYISOCYANATE COMPOSITION, COATING COMPOSITION AND COATED SUBSTRATE | ASAHI CHEMICAL IND (JP) | 2026-04-08 | — | — | EP | disclosed |
| US-20260092138-A1 | BLOCKED POLYISOCYANATE COMPOSITION, CURABLE RESIN COMPOSITION COMPRISING THE COMPOSITION, AND CURED PRODUCT | KOEI CHEMICAL COMPANY, LIMITED (JP) | 2026-04-02 | — | — | US | disclosed |
| EP-4008757-B1 | BLOCKED POLYISOCYANATE COMPOSITION, ONE-COMPONENT COATING COMPOSITION, COATING FILM AND COATED ARTICLE | ASAHI CHEMICAL IND (JP) | 2026-03-18 | — | — | EP | disclosed |
| EP-3309189-B1 | POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, TWO-LIQUID CURABLE POLYURETHANE COMPOSITION, AND COATING MATERIAL | MITSUI CHEMICALS INC (JP) | 2026-03-04 | — | — | EP | disclosed |
| EP-3309186-B1 | POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, TWO-LIQUID CURABLE POLYURETHANE COMPOSITION, COATING MATERIAL, AND ADHESIVE MATERIAL | MITSUI CHEMICALS INC (JP) | 2025-12-03 | — | — | EP | disclosed |
| EP-4653481-A1 | POLYISOCYANATE COMPOSITION, MIXTURE, COATING COMPOSITION, AND COATING FILM | Asahi Kasei Kabushiki Kaisha (JP) | 2025-11-26 | — | — | EP | disclosed |
| EP-4650379-A1 | POLYISOCYANATE COMPOSITION | Wanhua Chemical Group Co., Ltd. (CN) | 2025-11-19 | — | — | EP | disclosed |
| US-12466912-B2 | Blocked polyisocyanate composition, heat-curable resin composition, cured product, and production method therefor | KOEI CHEMICAL COMPANY, LIMITED (JP) | 2025-11-11 | — | — | US | disclosed |
| US-20040191418-A1 | Paint film forming method | KANSAI PAINT CO., LTD. (JP) | 2004-09-30 | — | — | US | disclosed |
| US-5849855-A | Blocked polyisocyanate composition and one-pack thermocuring resin composition comprising the same | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1998-12-15 | — | — | US | disclosed |
| EP-0398749-B1 | Polyisocyanatoalkylphenyl-isocyanurates, method for the preparation thereof and use thereof | MITSUI TOATSU CHEMICALS (JP) | 1995-07-26 | — | — | EP | disclosed |
| EP-0566037-A2 | Polyisocyanates, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-10-20 | — | — | EP | disclosed |
| US-5124429-A | Polyurethane coatings and adhesives; discoloration inhibition; weatherproofing; heat resistance; vehicles | MITSUI TOATSU CHEMICALS, INC. (JP) | 1992-06-23 | — | — | US | disclosed |
| US-5091496-A | POLYISOCYANATOALKYLPHENYL-ISOCYANURATES, METHOD FOR THE PREPARATION THEREOF AND USE THEREOF | MITSUI TOATSU CHEMICALS, INC. (JP) | 1992-02-25 | — | — | US | disclosed |
| EP-0398749-A2 | Polyisocyanatoalkylphenyl-isocyanurates, method for the preparation thereof and use thereof | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1990-11-22 | — | — | EP | disclosed |
| US-4801663-A | SUPERIOR COATINGS | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1989-01-31 | — | — | US | disclosed |