⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19227363 | 0.77 | — | — | |
| SCHEMBL20342700 | 0.72 | — | — | |
| SCHEMBL14184046 | 0.69 | — | — | |
| SCHEMBL20006436 | 0.66 | — | — | |
| SCHEMBL3687934 | 0.66 | — | — | |
| SCHEMBL17293513 | 0.64 | ALDH1A1 (0.31) | — | |
| SCHEMBL19291154 | 0.63 | HTR2A (0.32) | — | |
| SCHEMBL19425820 | 0.62 | — | — | |
| SCHEMBL17293381 | 0.58 | — | — | |
| SCHEMBL17293476 | 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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105026364-B | Process for preparing light-colored TDI-polyisocyanates | 科思创德国股份有限公司 | 2021-04-02 | — | — | CN | claimed |
| US-10676448-B2 | Method for producing TDI-trimerisates with high purity | COVESTRO DEUTSCHLAND AG (DE) | 2020-06-09 | — | — | US | claimed |
| US-20190031625-A1 | METHOD FOR PRODUCING TDI-TRIMERISATES WITH HIGH PURITY | COVESTRO DEUTSCHLAND AG (DE) | 2019-01-31 | — | — | US | claimed |
| US-10189945-B2 | Method for producing light-coloured TDI-polyisocyanates | COVESTRO DEUTSCHLAND AG (DE) | 2019-01-29 | — | — | US | claimed |
| US-10131641-B2 | Method for producing TDI-trimerisates with high purity | COVESTRO DEUTSCHLAND AG (DE) | 2018-11-20 | — | — | US | claimed |
| EP-2970562-B1 | METHOD FOR THE PREPARATION OF ESPECIALLY PURE TDI TRIMERISATES | COVESTRO DEUTSCHLAND AG (DE) | 2018-08-08 | — | — | EP | claimed |
| EP-2970108-B1 | PROCESS FOR THE PREPARATION OF LIGHTLY COLOURED TDI POLYISOCYANATES | COVESTRO DEUTSCHLAND AG (DE) | 2018-06-27 | — | — | EP | claimed |
| US-20160031834-A1 | METHOD FOR PRODUCING TDI-TRIMERISATES WITH HIGH PURITY | COVESTRO DEUTSCHLAND AG (DE) | 2016-02-04 | — | — | US | claimed |
| US-20160017097-A1 | METHOD FOR PRODUCING LIGHT-COLOURED TDI-POLYISOCANTES | BAYER MATERIALSCIENCE AG (DE) | 2016-01-21 | — | — | US | claimed |
| CN-105026364-A | Process for preparing light-colored TDI-polyisocyanates | BAYER MATERIALSCIENCE AG | 2015-11-04 | — | — | CN | claimed |
| CN-105026454-A | Method for producing TDI trimers having high purity | BAYER MATERIALSCIENCE AG | 2015-11-04 | — | — | CN | claimed |
| EP-4010311-B1 | POLYISOCYANATE AND PROCESS FOR PREPARING THE SAME | COVESTRO DEUTSCHLAND AG (DE) | 2025-09-03 | — | — | EP | disclosed |
| CN-115003724-B | Polyisocyanates and process for their preparation | 科思创德国股份有限公司 | 2025-06-13 | — | — | CN | disclosed |
| CN-114763403-B | Low-color TMP type polyisocyanate composition and preparation method thereof | 万华化学集团股份有限公司 | 2024-02-02 | — | — | CN | disclosed |
| EP-4234600-A1 | POLYISOCYANATE AND PROCESS FOR PREPARING THE SAME | Covestro Deutschland AG (DE) | 2023-08-30 | — | — | EP | disclosed |
| US-10131641-B2 | Method for producing TDI-trimerisates with high purity | COVESTRO DEUTSCHLAND AG (DE) | 2018-11-20 | — | — | US | disclosed |
| US-20160031834-A1 | METHOD FOR PRODUCING TDI-TRIMERISATES WITH HIGH PURITY | COVESTRO DEUTSCHLAND AG (DE) | 2016-02-04 | — | — | US | disclosed |
| US-20160017097-A1 | METHOD FOR PRODUCING LIGHT-COLOURED TDI-POLYISOCANTES | BAYER MATERIALSCIENCE AG (DE) | 2016-01-21 | — | — | US | disclosed |
| CN-105026364-A | Process for preparing light-colored TDI-polyisocyanates | BAYER MATERIALSCIENCE AG | 2015-11-04 | — | — | CN | disclosed |
| CN-105026454-A | Method for producing TDI trimers having high purity | BAYER MATERIALSCIENCE AG | 2015-11-04 | — | — | CN | disclosed |