⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4445312 | 0.78 | — | — | |
| SCHEMBL311015 | 0.76 | — | — | |
| SCHEMBL3126300 | 0.76 | — | — | |
| SCHEMBL5888988 | 0.76 | — | — | |
| SCHEMBL11238323 | 0.76 | — | — | |
| SCHEMBL6141634 | 0.74 | — | — | |
| SCHEMBL1208278 | 0.73 | — | — | |
| SCHEMBL2353911 | 0.73 | — | — | |
| SCHEMBL8645586 | 0.72 | — | — | |
| SCHEMBL9698656 | 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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114195649-B | Method for separating and preparing single component of diaminotoluene mixture | 王玉辉 | 2024-12-31 | — | — | CN | disclosed |
| CN-111212827-B | Increasing catalyst selectivity in continuous hydrogenation of nitro compounds by adding ammonia | 巴斯夫欧洲公司 | 2023-11-17 | — | — | CN | disclosed |
| CN-109803949-B | Catalyst modification using alkali metal ions, alkaline earth metal ions or rare earth metal ions in the continuous liquid phase hydrogenation of nitro compounds | 巴斯夫欧洲公司 | 2023-04-14 | — | — | CN | disclosed |
| CN-114195649-A | Method for preparing single component by separating diaminotoluene mixture | 王玉辉 | 2022-03-18 | — | — | CN | disclosed |
| CN-215876292-U | Resource recovery device of o-toluenediamine waste liquid | 福州市福化环保科技有限公司 | 2022-02-22 | — | — | CN | disclosed |
| CN-111212827-A | Increasing catalyst selectivity in the continuous hydrogenation of nitro compounds by adding ammonia | 巴斯夫欧洲公司 | 2020-05-29 | — | — | CN | disclosed |
| CN-1249016-C | Method for purifying ortho-toluene diamine | TAIHE CHEMICAL INDUSTRY CO LTD (CN) | 2006-04-05 | — | — | CN | disclosed |
| CN-1445210-A | Method for purifying ortho-toluene diamine | TAIHE CHEMICAL INDUSTRY CO LTD (CN) | 2003-10-01 | — | — | CN | disclosed |
| US-5895793-A | Fluorine-containing hydrocarbon composition | ASAHI GLASS COMPANY LTD. (JP) | 1999-04-20 | — | — | US | disclosed |
| US-5789455-A | Fluorine-containing hydrocarbon composition | ASAHI GLASS COMPANY LTD. (JP) | 1998-08-04 | — | — | US | disclosed |
| US-5345012-A | Process for the preparation of dinitrotoluene | BAYER AKTIENGESELLSCHAFT (DE) | 1994-09-06 | — | — | US | disclosed |