⚠ 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 | |
|---|---|---|---|---|
| Isothiocyanate SCHEMBL22129485 | 1.00 | ALDH1A1 (0.42) | — | |
| Isothiocyanate SCHEMBL2134259 | 1.00 | — | — | |
| Isothiocyanate SCHEMBL8940171 | 0.87 | ALDH1A1 (0.43) | — | |
| Isothiocyanate SCHEMBL133963 | 0.87 | — | — | |
| Isothiocyanate SCHEMBL4002 | 0.87 | — | — | |
| Isothiocyanate SCHEMBL331482 | 0.87 | — | — | |
| Isothiocyanate SCHEMBL28582970 | 0.82 | ALDH1A1 (0.30) | — | |
| Isothiocyanate SCHEMBL17261553 | 0.82 | — | — | |
| Methylisothiocyanate SCHEMBL8675064 | 0.82 | — | — | |
| Isothiocyanate SCHEMBL23931191 | 0.80 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113929866-B | Modified resin and resin composition | 旭化成株式会社 | 2023-07-07 | — | — | CN | disclosed |
| CN-111205424-B | Modified resin and resin composition | 旭化成株式会社 | 2022-04-08 | — | — | CN | disclosed |
| CN-113929866-A | Modified resin and resin composition | 旭化成株式会社 | 2022-01-14 | — | — | CN | disclosed |
| CN-107629183-B | Modified resin and resin composition | 旭化成株式会社 | 2021-01-05 | — | — | CN | disclosed |
| CN-111205424-A | Modified resin and resin composition | 旭化成株式会社 | 2020-05-29 | — | — | CN | disclosed |
| CN-105358602-A | Modified resin and resin composition | ASAHI KASEI CHEMICALS CORP | 2016-02-24 | — | — | CN | disclosed |
| CN-102171194-A | Pyrimidine compounds, compositions and methods of use | GENENTECH INC | 2011-08-31 | — | — | CN | disclosed |
| US-20060166990-A1 | Novel aminobenzophenone compounds | LEO PHARMA A/S (DK) | 2006-07-27 | — | — | US | disclosed |
| EP-1120435-B1 | APPARATUS AND METHOD FOR PRODUCING RESIN | TEIJIN LTD (JP) | 2004-05-06 | — | — | EP | disclosed |
| US-6562936-B1 | Resin excellent in hydrolysis and heat stability such as a reduction in molecular weight at the time of molding and color retention and moldability such as releasability and transferability, rarely experiences residence deterioration | TEIJIN LIMITED (JP) | 2003-05-13 | — | — | US | disclosed |
| US-6509435-B1 | Heat resistance, stability; moldings | TEIJIN LIMITED (JP) | 2003-01-21 | — | — | US | disclosed |
| EP-1191049-A1 | POLYCARBONATE, PROCESS FOR PRODUCING THE SAME, AND MOLDED ARTICLE THEREOF | TEIJIN LIMITED (JP) | 2002-03-27 | — | — | EP | disclosed |
| EP-1120435-A1 | APPARATUS AND METHOD FOR PRODUCING RESIN | TEIJIN LIMITED (JP) | 2001-08-01 | — | — | EP | disclosed |