⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22219935 | 0.86 | — | — | |
| SCHEMBL20222876 | 0.67 | — | — | |
| SCHEMBL4422042 | 0.65 | — | — | |
| SCHEMBL83095 | 0.65 | — | — | |
| SCHEMBL11169883 | 0.65 | — | — | |
| SCHEMBL8728773 | 0.61 | — | — | |
| SCHEMBL18807943 | 0.61 | — | — | |
| SCHEMBL663126 | 0.58 | — | — | |
| SCHEMBL1900701 | 0.58 | — | — | |
| SCHEMBL17518468 | 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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104662012-A | Method for storing episulfide compound and method for preparing thioepoxy-based optical material using said episulfide compound | KOC SOLUTION CO LTD | 2015-05-27 | — | — | CN | disclosed |
| CN-104640900-A | Preparation method of thiourethane optical material | KOC SOLUTION CO LTD | 2015-05-20 | — | — | CN | disclosed |
| CN-1264816-C | Mercaptan and sulfenyl-(methyl) acrylate compound and their application | MITSUI CHEMICALS INC (JP) | 2006-07-19 | — | — | CN | disclosed |
| CN-1578802-A | Thioepoxy based polymerizable composition and method for production thereof | MITSUI CHEMICALS INC (JP) | 2005-02-09 | — | — | CN | disclosed |
| CN-1186320-C | Mercaptan and sulfenyl-(methyl) acrylate compound and their application | MITSUI CHEMICALS INC (JP) | 2005-01-26 | — | — | CN | disclosed |
| CN-1308060-A | Mercaptan and sulfenyl-(methyl) acrylate compound and their application | MITSUI CHEMICALS INC (JP) | 2001-08-15 | — | — | CN | disclosed |
| CN-1308061-A | Mercaptan and sulfenyl-(methyl) acrylate compound and their application | MITSUI CHEMICALS INC (JP) | 2001-08-15 | — | — | CN | disclosed |
| CN-1065528-C | Thiol and sulfur-containing O- (meth) acrylate compound and use thereof | MITSUI TOATSU CHEMICALS (JP) | 2001-05-09 | — | — | CN | disclosed |
| CN-1173490-A | Thiol and sulfur-containing 0- (meth) acrylate compound and use thereof | MITSUI TOATSU CHEMICALS (JP) | 1998-02-18 | — | — | CN | disclosed |
| EP-0716085-A1 | Amino acid derivatives of paclitaxel | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-06-12 | — | — | EP | disclosed |
| US-5489589-A | ADMINSTERING AS ANTITUMOR AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-02-06 | — | — | US | disclosed |