⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26130618 | 0.97 | CRBN (0.45) | — | |
| Cyclopropane SCHEMBL11825247 | 0.91 | CRBN (0.41) | — | |
| SCHEMBL20958648 | 0.84 | CRBN (0.36) | — | |
| SCHEMBL27524722 | 0.76 | CRBN (0.60) | — | |
| SCHEMBL6679144 | 0.76 | — | — | |
| SCHEMBL27939070 | 0.76 | CRBN (0.60) | — | |
| SCHEMBL15045 | 0.76 | — | — | |
| SCHEMBL27560286 | 0.76 | CRBN (0.60) | — | |
| SCHEMBL5968098 | 0.73 | — | — | |
| SCHEMBL29030139 | 0.73 | — | — |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3440053-B1 | METHOD FOR PRODUCING XYLYLENE DIISOCYANATE (XDI) | VENCOREX FRANCE (FR) | 2023-09-27 | — | — | EP | claimed |
| CN-108884024-B | Preparation process of xylylene diisocyanate XDI | 温科莱斯法国公司 | 2021-09-03 | — | — | CN | claimed |
| EP-0201030-B1 | PROCESS FOR THE PREPARATION OF 1,3,5-TRIAZINE TRIONES | BAYER AG (DE) | 1990-09-12 | — | — | EP | claimed |
| US-4898979-A | Process for preparing 1,3,5-triazinetriones | BAYER AKTIENGESELLSCHAFT (DE) | 1990-02-06 | — | — | US | claimed |
| US-3950367-A | FROM IMINO COMPOUND AND PHOSGENE, HERBICIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1976-04-13 | — | — | US | claimed |
| CN-115925580-B | Method for recycling HDI rectification residues and biuret polyisocyanate | 宁夏瑞泰科技股份有限公司 | 2024-06-07 | — | — | CN | disclosed |
| CN-117550982-A | Treatment method of hexamethylene diisocyanate light component and preparation method of hexamethylene diisocyanate | 宁夏瑞泰科技股份有限公司 | 2024-02-13 | — | — | CN | disclosed |
| CN-114605288-B | Efficient separation and recovery process and device for isocyanate polymer | 万华化学集团股份有限公司 | 2024-02-02 | — | — | CN | disclosed |
| EP-3440053-B1 | METHOD FOR PRODUCING XYLYLENE DIISOCYANATE (XDI) | VENCOREX FRANCE (FR) | 2023-09-27 | — | — | EP | disclosed |
| CN-115925580-A | Method for recycling HDI rectification residues and biuret polyisocyanate | 宁夏瑞泰科技股份有限公司 | 2023-04-07 | — | — | CN | disclosed |
| CN-108884024-B | Preparation process of xylylene diisocyanate XDI | 温科莱斯法国公司 | 2021-09-03 | — | — | CN | disclosed |
| CN-112316976-A | Quaternary ammonium salt modified mesoporous molecular sieve and its preparation method and use | 江苏快达农化股份有限公司 | 2021-02-05 | — | — | CN | disclosed |
| US-4695645-A | Process for the preparation of N,o-substituted mono-and/or polyurethanes | BASF AKTIENGESELLSCHAFT (DE) | 1987-09-22 | — | — | US | disclosed |
| US-4354979-A | Preparation of aliphatic isocyanates | BASF AKTIENGESELLSCHAFT (DE) | 1982-10-19 | — | — | US | disclosed |
| US-4055427-A | Process of hardening a silver halide photographic material with a 1-carbamoyloxypyridinium salt | AGFA-GEVAERT AKTIENGESELLSCHAFT (DT) | 1977-10-25 | — | — | US | disclosed |
| US-4001318-A | HERBICIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-01-04 | — | — | US | disclosed |
| US-4001318-A | HERBICIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-01-04 | — | — | US | disclosed |
| US-3950367-A | FROM IMINO COMPOUND AND PHOSGENE, HERBICIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1976-04-13 | — | — | US | disclosed |
| US-3933463-A | Herbicidally active imidazolidin-2-on-1-carboxylic acid amides | BAYER AKTIENGESELLSCHAFT (DT) | 1976-01-20 | — | — | US | disclosed |
| US-3832389-A | SUBSTITUTED CHLOROCARBONYLUREA | BASF AG | 1974-08-27 | — | — | US | disclosed |