⚠ 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 | |
|---|---|---|---|---|
| Phosphonic Acid SCHEMBL9095692 | 0.96 | — | — | |
| N-Propyl Bromide SCHEMBL11136217 | 0.85 | — | — | |
| Phosphonic Acid SCHEMBL8445453 | 0.82 | ALDH1A1 (0.33) | — | |
| Phosphonic Acid SCHEMBL3793734 | 0.82 | ALDH1A1 (0.33) | — | |
| Phosphonic Acid SCHEMBL10858020 | 0.82 | TSHR (0.33) | — | |
| Phosphonic Acid SCHEMBL7230 | 0.82 | — | — | |
| Phosphonic Acid SCHEMBL1768257 | 0.82 | ALDH1A1 (0.33) | — | |
| Phosphonic Acid SCHEMBL9095684 | 0.82 | — | — | |
| Butane SCHEMBL472717 | 0.78 | CES2 (0.35) | — | |
| Phosphonic Acid SCHEMBL317316 | 0.78 | ALDH1A1 (0.55) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112811994-B | Difluoro ether compound with 3-pentenyl end group and synthesis method thereof | 江苏和成新材料有限公司 | 2024-02-02 | — | — | CN | disclosed |
| EP-3514160-B1 | NAHLSGEN OPTICAL RESOLUTION METHOD | UNIV KYOTO (JP) | 2021-08-11 | — | — | EP | disclosed |
| CN-112811994-A | Difluoro ether compound with end group of 3-pentenyl and synthesis method thereof | 江苏和成新材料有限公司 | 2021-05-18 | — | — | CN | disclosed |
| US-10774098-B2 | Nahlsgen optical resolution method | KYOTO UNIVERSITY (JP) | 2020-09-15 | — | — | US | disclosed |
| CN-107540708-B | Electrochromic material and transmission-variable panel and display device comprising it | 乐金显示有限公司 | 2019-11-15 | — | — | CN | disclosed |
| US-20190225634-A1 | NAHLSGEN OPTICAL RESOLUTION METHOD | KYOTO UNIVERSITY (JP) | 2019-07-25 | — | — | US | disclosed |
| EP-3514160-A1 | NAHLSGEN OPTICAL RESOLUTION METHOD | Kyoto University (JP) | 2019-07-24 | — | — | EP | disclosed |
| CN-107540708-A | Electrochromic material and the transmission-variable panel and display device for including it | 乐金显示有限公司 | 2018-01-05 | — | — | CN | disclosed |
| CN-100374438-C | Pre-organized tricyclic integrase inhibitor compounds | GILEAD SCIENCES INC (US) | 2008-03-12 | — | — | CN | disclosed |
| CN-100345890-C | Resin and article molded therefrom | TORAY INDUSTRIES (JP) | 2007-10-31 | — | — | CN | disclosed |
| CN-100334138-C | Resin, resin compositions, process for production thereof, and moldings made by using the same | TORAY INDUSTRIES (JP) | 2007-08-29 | — | — | CN | disclosed |
| CN-1795226-A | Resin and article molded therefrom | TORAY INDUSTRIES (JP) | 2006-06-28 | — | — | CN | disclosed |
| CN-1726212-A | Pre-organized tricyclic integrase inhibitor compounds | GILEAD SCIENCES INC (US) | 2006-01-25 | — | — | CN | disclosed |
| CN-1649940-A | Resin, resin compositions, process for production thereof, and moldings made by using the same | TORAY INDUSTRIES (JP) | 2005-08-03 | — | — | CN | disclosed |
| CN-1649943-A | Oligomers and polymers containing sulfinate groups, and methods for producing the same | UNIV STUTTGART (DE) | 2005-08-03 | — | — | CN | disclosed |
| CN-87103565-A | SYNERGISTIC PLANT GROWTH REGULATOR COMPOSITIONS | — | 1988-03-02 | — | — | CN | disclosed |