⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3660058 | 0.78 | — | — | |
| SCHEMBL18131671 | 0.76 | — | — | |
| SCHEMBL27757691 | 0.74 | — | — | |
| SCHEMBL3123589 | 0.74 | — | — | |
| SCHEMBL3591738 | 0.74 | — | — | |
| SCHEMBL8626715 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL28953717 | 0.72 | — | — | |
| SCHEMBL31588214 | 0.71 | — | — | |
| SCHEMBL17925957 | 0.70 | — | — | |
| SCHEMBL8621472 | 0.70 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119950500-A | Tobacco pest-reducing and pain-relieving products and methods thereof | 瑞迪美天然有限公司 | 2025-05-09 | — | — | CN | disclosed |
| CN-119908508-A | Gasified alkaloid composition and method of use thereof | 瑞迪美天然有限公司 | 2025-05-02 | — | — | CN | disclosed |
| EP-1857434-B1 | Method for producing xylylenediamine | MITSUBISHI GAS CHEMICAL CO (JP) | 2009-11-11 | — | — | EP | disclosed |
| US-7465832-B2 | Method of producing xylylenediamine | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2008-12-16 | — | — | US | disclosed |
| US-20070270613-A1 | Subjecting a liquid mixture of phthalonitriles with liquid ammonia to a first catalytic hydrogenation treatment; removing the liquid ammonia; subjecting the product to a second catalytic hydrogenation to hydrogenate cyanobenzylamine; and heating to purify the xylylenediamine products | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2007-11-22 | — | — | US | disclosed |
| EP-1857434-A2 | Method for producing xylylenediamine | Mitsubishi Gas Chemical Company, Inc. (JP) | 2007-11-21 | — | — | EP | disclosed |
| US-5756247-A | PHOTOCONDUCTOR OBTAINED BY HYDROXYLATION WITH ACID PASTING GALLIUM PHTHALOCYANINE; CHARGEABILITY, IMAGE; SEMICONDUCTOR LASER PRINTER | FUJI XEROX CO., LTD. (JP) | 1998-05-26 | — | — | US | disclosed |
| US-5663327-A | Hydroxygallium phthalocyanine crystal, process for producing the same, and electrophotographic photoreceptor containing the same | FUJI XEROX CO., LTD. (JP) | 1997-09-02 | — | — | US | disclosed |