⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10769923 | 0.97 | TSHR (0.31) | — | |
| SCHEMBL2489793 | 0.82 | TSHR (0.30) | — | |
| SCHEMBL16654228 | 0.82 | TSHR (0.30) | — | |
| SCHEMBL1672601 | 0.82 | TSHR (0.30) | — | |
| SCHEMBL248702 | 0.82 | TSHR (0.30) | — | |
| SCHEMBL1672603 | 0.82 | TSHR (0.30) | — | |
| SCHEMBL16639232 | 0.79 | TSHR (0.35) | — | |
| Hydrochloric Acid SCHEMBL31324651 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL742331 | 0.79 | — | — | |
| SCHEMBL18226106 | 0.74 | — | — |
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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111807967-B | Preparation method of methylcyclohexanetriamine and methylcyclohexanetriiso (thio) cyanate | 西安近代化学研究所 | 2024-01-09 | — | — | CN | claimed |
| CN-111807967-A | Preparation method of methylcyclohexanetriamine and methylcyclohexane triiso (thio) cyanate | 西安近代化学研究所 | 2020-10-23 | — | — | CN | claimed |
| CN-111807967-B | Preparation method of methylcyclohexanetriamine and methylcyclohexanetriiso (thio) cyanate | 西安近代化学研究所 | 2024-01-09 | — | — | CN | disclosed |
| CN-111807967-B | Preparation method of methylcyclohexanetriamine and methylcyclohexanetriiso (thio) cyanate | 西安近代化学研究所 | 2024-01-09 | — | — | CN | disclosed |
| CN-111807967-B | Preparation method of methylcyclohexanetriamine and methylcyclohexanetriiso (thio) cyanate | 西安近代化学研究所 | 2024-01-09 | — | — | CN | disclosed |
| EP-3160630-B1 | PROCESS FOR MANUFACTURING CHEMICAL PRODUCTS WITH STAND BY OF THE PROCESS | COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) | 2022-08-31 | — | — | EP | disclosed |
| CN-111848476-B | Preparation method of thiotoluene diiso (thio) cyanate | 西安近代化学研究所 | 2022-05-24 | — | — | CN | disclosed |
| EP-3500553-B1 | METHOD AND DEVICE FOR THE PRODUCTION OF VARIOUS CHEMICAL PRODUCTS | COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) | 2021-05-12 | — | — | EP | disclosed |
| CN-111848476-A | Preparation method of thiotoluene diiso (thio) cyanate | 西安近代化学研究所 | 2020-10-30 | — | — | CN | disclosed |
| CN-111807967-A | Preparation method of methylcyclohexanetriamine and methylcyclohexane triiso (thio) cyanate | 西安近代化学研究所 | 2020-10-23 | — | — | CN | disclosed |
| CN-111807967-A | Preparation method of methylcyclohexanetriamine and methylcyclohexane triiso (thio) cyanate | 西安近代化学研究所 | 2020-10-23 | — | — | CN | disclosed |
| EP-2128128-B1 | Separating ammonium chloride from the gas phase | BAYER IP GMBH (DE) | 2015-07-29 | — | — | EP | disclosed |
| EP-2128127-A1 | Separating ammonium chloride from the gas phase | Bayer MaterialScience AG (DE) | 2009-12-02 | — | — | EP | disclosed |
| EP-2128128-A1 | Separating ammonium chloride from the gas phase | Bayer MaterialScience AG (DE) | 2009-12-02 | — | — | EP | disclosed |
| EP-2028179-A1 | Production of isocyanates with low chlorine content | Bayer MaterialScience AG (DE) | 2009-02-25 | — | — | EP | disclosed |
| EP-2028178-A1 | Manufacture of isocyanates with low chlorine content | Bayer MaterialScience AG (DE) | 2009-02-25 | — | — | EP | disclosed |
| EP-0749958-B1 | Process for the preparation of triisocyanates | BAYER AG (DE) | 1999-10-20 | — | — | EP | disclosed |
| US-5633396-A | Process for preparing triisocyanates | BAYER AKTIENGESELLSCHAFT (DE) | 1997-05-27 | — | — | US | disclosed |
| EP-0749958-A1 | Process for the preparation of triisocyanates | BAYER AG (DE) | 1996-12-27 | — | — | EP | disclosed |
| US-4745151-A | Process for the production of aqueous dispersions of polyurethane polyureas, the dispersions obtainable by this process and their use as coating compositions | BAYER AKTIENGESELLSCHAFT (DE) | 1988-05-17 | — | — | US | disclosed |