⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10397037 | 1.00 | PTPN7 (0.46) | — | |
| SCHEMBL10615871 | 1.00 | PTPN7 (0.46) | — | |
| SCHEMBL17965713 | 1.00 | PTPN7 (0.46) | — | |
| SCHEMBL20838863 | 1.00 | PTPN7 (0.46) | — | |
| SCHEMBL4054911 | 1.00 | PTPN7 (0.46) | — | |
| SCHEMBL10803813 | 1.00 | PTPN7 (0.46) | — | |
| SCHEMBL4053189 | 0.97 | — | — | |
| SCHEMBL4224656 | 0.93 | HMGCR (0.53) | — | |
| SCHEMBL4055283 | 0.88 | — | — | |
| SCHEMBL23040316 | 0.82 | PTPN7 (0.61) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023162998-A1 | COMPOSITION INCLUDING IODO COMPOUND AND USE FOR SAME | 東ソー株式会社 | 2023-08-31 | — | — | WO | disclosed |
| EP-3018118-B1 | BASE GENERATOR, BASE-REACTIVE COMPOSITION CONTAINING SAID BASE GENERATOR, AND BASE GENERATION METHOD | FUJIFILM WAKO PURE CHEMICAL CORP (JP) | 2023-07-05 | — | — | EP | disclosed |
| CN-105859529-B | Method for producing asymmetric conjugated diyne compound and method for producing Z, Z-conjugated diene compound using the same | 信越化学工业株式会社 | 2020-10-16 | — | — | CN | disclosed |
| EP-3053906-B1 | METHOD FOR PRODUCING ASYMMETRIC CONJUGATED DIYNE COMPOUND AND METHOD FOR PRODUCING Z,Z-CONJUGATED DIENE COMPOUND USING THE SAME | SHINETSU CHEMICAL CO (JP) | 2017-12-27 | — | — | EP | disclosed |
| US-9845304-B2 | Method for producing asymmetric conjugated diyne compound and method for producing Z,Z-conjugated diene compound using the same | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2017-12-19 | — | — | US | disclosed |
| CN-105859529-A | Method for producing asymmetric conjugated diyne compound and method for producing Z,Z-conjugated diene compound using the same | 信越化学工业株式会社 | 2016-08-17 | — | — | CN | disclosed |
| US-20160229829-A1 | Method for Producing Asymmetric Conjugated Diyne Compound and Method for Producing Z,Z-Conjugated Diene Compound Using the Same | SHIN-ETSU CHEMICAL CO., LTD (JP) | 2016-08-11 | — | — | US | disclosed |
| EP-3053906-A1 | METHOD FOR PRODUCING ASYMMETRIC CONJUGATED DIYNE COMPOUND AND METHOD FOR PRODUCING Z,Z-CONJUGATED DIENE COMPOUND USING THE SAME | Shin-Etsu Chemical Co., Ltd. (JP) | 2016-08-10 | — | — | EP | disclosed |
| WO-2009111830-A1 | CONJUGATED UNSATURATED COMPOUNDS | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 2009-09-17 | — | — | WO | disclosed |
| EP-2059496-A1 | ACETYLENIC COMPOUNDS | Commonwealth Scientific and Industrial Research Organisation (AU) | 2009-05-20 | — | — | EP | disclosed |
| WO-2008031157-A1 | ACETYLENIC COMPOUNDS | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 2008-03-20 | — | — | WO | disclosed |
| EP-0365121-B1 | ESTER OF CARBAMIC ACID USEFUL AS A MICROBICIDE AND PRESERVATIVE | BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) | 1993-02-10 | — | — | EP | disclosed |
| US-4996340-A | Using organoaluminum compounds to produce stereospecific conjugated olefins | ETHYL CORPORATION (US) | 1991-02-26 | — | — | US | disclosed |
| US-4945109-A | Aqueous systems | BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) | 1990-07-31 | — | — | US | disclosed |