⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7934289 | 0.86 | — | — | |
| SCHEMBL860617 | 0.79 | — | — | |
| SCHEMBL55376 | 0.79 | — | — | |
| SCHEMBL621262 | 0.74 | — | — | |
| SCHEMBL12454538 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL10365968 | 0.72 | — | — | |
| SCHEMBL18695014 | 0.69 | TSHR (0.42) | — | |
| SCHEMBL2547201 | 0.69 | — | — | |
| SCHEMBL2487901 | 0.67 | — | — | |
| SCHEMBL27530 | 0.62 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017139845-A1 | NOVEL ALPHA CONOTOXIN PEPTIDES | THE UNIVERSITY OF QUEENSLAND (AU) | 2017-08-24 | — | — | WO | disclosed |
| US-6307062-B1 | E.G., METHACRYLIC ESTER OF 1,4-DITHIACYCLOHEPTANE | ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) | 2001-10-23 | — | — | US | disclosed |
| EP-0901486-A1 | NOVEL (THIO)(METH)ACRYLATE MONOMERS, INTERMEDIATE COMPOUNDS FOR THE SYNTHESIS OF THESE MONOMERS, POLYMERISABLE COMPOSITIONS AND RESULTING POLYMERS AND OPTICAL AND OPHTHALMOLOGIC APPLICATIONS THEREOF | ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) | 1999-03-17 | — | — | EP | disclosed |
| WO-1998035955-A1 | NOVEL (THIO)(METH)ACRYLATE MONOMERS, INTERMEDIATE COMPOUNDS FOR THE SYNTHESIS OF THESE MONOMERS, POLYMERISABLE COMPOSITIONS AND RESULTING POLYMERS AND OPTICAL AND OPHTHALMOLOGIC APPLICATIONS THEREOF | ESSILOR INTERNATIONAL - COMPAGNIE GENERALE D'OPTIQUE (FR) | 1998-08-20 | — | — | WO | disclosed |
| US-5086187-A | Selective for weed grasses | DUNLENA PTY. LIMITED (AU) | 1992-02-04 | — | — | US | disclosed |
| US-4939278-A | Herbicidal pyrones | DUNLENA PTY. LIMITED (AU) | 1990-07-03 | — | — | US | disclosed |
| US-4814325-A | INSECTICIDES, NEMATOCIDES, ACARICIDES | FMC CORPORATION (US) | 1989-03-21 | — | — | US | disclosed |