⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL96612 | 1.00 | — | — | |
| SCHEMBL2487545 | 1.00 | TSHR (0.44) | — | |
| SCHEMBL28915767 | 1.00 | TSHR (0.44) | — | |
| SCHEMBL29958938 | 1.00 | TSHR (0.44) | — | |
| SCHEMBL1649613 | 1.00 | TSHR (0.44) | — | |
| SCHEMBL1649611 | 1.00 | TSHR (0.44) | — | |
| SCHEMBL13448114 | 1.00 | — | — | |
| SCHEMBL51020 | 0.88 | — | — | |
| SCHEMBL51021 | 0.88 | — | — | |
| SCHEMBL418689 | 0.88 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4334868-B2 | — | — | 2009-09-30 | — | — | JP | claimed |
| JP-2004530636-A | — | — | 2004-10-07 | — | — | JP | claimed |
| EP-1328506-A2 | INTERMEDIATES FOR USE IN RETINOID SYNTHESIS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2003-07-23 | — | — | EP | claimed |
| WO-2002034710-A2 | NOVEL INTERMEDIATES FOR USE IN RETINOID SYNTHESIS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2002-05-02 | — | — | WO | claimed |
| WO-2023213310-A9 | CARBON CHAIN SUBSTANCE FOR REGULATING TRANSMEMBRANE TRANSPORT AND FLUIDITY OF CELL MEMBRANES, AND PREPARATION AND USE THEREOF | 太阳雨林(北京)生物医药有限公司 | 2025-02-20 | — | — | WO | disclosed |
| US-20150031892-A1 | SPHINGOLIPID METABOLITE MIMETICS | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2015-01-29 | — | — | US | disclosed |
| WO-2014066613-A2 | SPHINGOLIPID METABOLITE MIMETICS | ZHEJIANG UNIVERSITY (CN) | 2014-05-01 | — | — | WO | disclosed |
| EP-0335641-B1 | Organic nonlinear optical substance | TEIJIN LTD (JP) | 1994-01-05 | — | — | EP | disclosed |
| US-5196147-A | Optical crystals | TEIJIN LIMITED (JP) | 1993-03-23 | — | — | US | disclosed |
| EP-0335641-A2 | Organic nonlinear optical substance | TEIJIN LIMITED (JP) | 1989-10-04 | — | — | EP | disclosed |