⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL708659 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL1856455 | 0.77 | HRH3 (0.31) | — | |
| SCHEMBL5583734 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL30865852 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL29013600 | 0.71 | — | — | |
| SCHEMBL4448832 | 0.71 | PTGS1 (0.33) | — | |
| SCHEMBL4448834 | 0.71 | PTGS1 (0.33) | — | |
| SCHEMBL4470143 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL20851113 | 0.70 | ALDH1A1 (0.42) | — | |
| SCHEMBL23094088 | 0.68 | CYP3A4 (0.32) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6713589-B2 | GLASS TRANSITION TEMPERATURE, LOW MOISTURE ABSORPTION, ADHESION | HITACHI CHEMICAL COMPANY, LTD. (JP) | 2004-03-30 | — | — | US | disclosed |
| US-20020065386-A1 | Glass transition temperature, low moisture absorption, adhesion | HITACHI CHEMICAL COMPANY, LTD. (JP) | 2002-05-30 | — | — | US | disclosed |
| US-6329492-B1 | USEFUL AS MATERIAL FOR ENCAPSULATING ELECTRONIC DEVICES, FOR LAMINATION OR FOR ADHESION; CURING AGENT FOR EPOXY RESINS | HITACHI CHEMICAL COMPANY, LTD. (JP) | 2001-12-11 | — | — | US | disclosed |
| US-5510446-A | HEATING PRIMARY REACTION MIXTURE IN PRESENCE OF STRONG ACID; VACUUM CONCENTRATION OR STEAM DISTILLATION | HITACHI CHEMICAL COMPANY, LTD. (JP) | 1996-04-23 | — | — | US | disclosed |
| US-5459223-A | First stage polymerization, second stage curing, acid catalyst curing agent for an epoxy resin molding material for sealing electronic parts | HITACHI CHEMICAL COMPANY (JP) | 1995-10-17 | — | — | US | disclosed |