⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4665155 | 0.70 | CRBN (0.41) | — | |
| Ammonia Solution, Strong SCHEMBL15346087 | 0.65 | CRBN (0.36) | — | |
| SCHEMBL9562463 | 0.65 | CRBN (0.36) | — | |
| SCHEMBL29072924 | 0.63 | — | — | |
| SCHEMBL9860156 | 0.62 | — | — | |
| SCHEMBL252499 | 0.62 | JAK2 (0.32) | — | |
| SCHEMBL9425850 | 0.60 | CRBN (0.45) | — | |
| SCHEMBL16322979 | 0.59 | — | — | |
| Urea SCHEMBL9301106 | 0.59 | LMNA (0.46) | — | |
| SCHEMBL767374 | 0.58 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0566037-A2 | Polyisocyanates, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-10-20 | — | — | EP | claimed |
| WO-2024008544-A1 | POLYISOCYANATE MIXTURE | COVESTRO DEUTSCHLAND AG (DE) | 2024-01-11 | — | — | WO | disclosed |
| EP-4303246-A1 | POLYISOCYANATE MIXTURE | Covestro Deutschland AG (DE) | 2024-01-10 | — | — | EP | disclosed |
| CN-116209691-A | Water-dispersible polyisocyanate, aqueous polyurethane resin composition and article | 三井化学株式会社 | 2023-06-02 | — | — | CN | disclosed |
| CN-114008102-A | Water-emulsifiable isocyanates having improved properties | 巴斯夫欧洲公司 | 2022-02-01 | — | — | CN | disclosed |
| US-20190338121-A1 | POLYURETHANE RESIN AND PRODUCTION METHOD THEREOF | MITSUI CHEMICALS, INC, (JP) | 2019-11-07 | — | — | US | disclosed |
| CN-105829375-B | Allophanate-isocyanurateing catalyst, polyisocyanate composition, method for producing the composition, and two-component coating composition | 东曹株式会社 | 2019-09-20 | — | — | CN | disclosed |
| CN-105829375-B | Allophanate-isocyanurateing catalyst, polyisocyanate composition, method for producing the composition, and two-component coating composition | 东曹株式会社 | 2019-09-20 | — | — | CN | disclosed |
| EP-3492506-A1 | POLYURETHANE RESIN AND PRODUCTION METHOD THEREFOR | Mitsui Chemicals, Inc. (JP) | 2019-06-05 | — | — | EP | disclosed |
| CN-105829375-A | Allophanate-isocyanurateing catalyst, polyisocyanate composition, method for producing the composition, and two-component coating composition | 东曹株式会社 | 2016-08-03 | — | — | CN | disclosed |
| CN-100360576-C | Polyurethane system and application thereof | SRI SPORTS INC (US) | 2008-01-09 | — | — | CN | disclosed |
| CN-1751097-A | Polyurethane system and application thereof | SRI SPORTS INC (US) | 2006-03-22 | — | — | CN | disclosed |
| EP-0566037-A2 | Polyisocyanates, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-10-20 | — | — | EP | disclosed |