⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL301787 | 0.86 | — | — | |
| SCHEMBL7679243 | 0.78 | — | — | |
| SCHEMBL7933895 | 0.69 | FDPS (0.31) | — | |
| SCHEMBL10394501 | 0.68 | HSD17B10 (0.54) | — | |
| SCHEMBL7729503 | 0.67 | SPHK1 (0.33) | — | |
| Trimethylammonium SCHEMBL851475 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL1736341 | 0.65 | ALDH1A1 (0.40) | — | |
| SCHEMBL30 | 0.65 | — | — | |
| SCHEMBL124190 | 0.65 | — | — | |
| Ether SCHEMBL324618 | 0.64 | ALDH1A1 (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0670756-A4 | WATER-BORNE COMPOSITIONS COMPRISING HALF ESTERS OF ANHYDRIDE POLYMERS CROSSLINKED BY EPOXIES. | DU PONT (US) | 1996-08-21 | — | — | EP | disclosed |
| EP-0670756-A1 | WATER-BORNE COMPOSITIONS COMPRISING HALF ESTERS OF ANHYDRIDE POLYMERS CROSSLINKED BY EPOXIES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1995-09-13 | — | — | EP | disclosed |
| US-5367004-A | Clarity and weatherproofing compositions and substrates coated with resins | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1994-11-22 | — | — | US | disclosed |
| WO-1994011122-A1 | WATER-BORNE COMPOSITIONS COMPRISING HALF ESTERS OF ANHYDRIDE POLYMERS CROSSLINKED BY EPOXIES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1994-05-26 | — | — | WO | disclosed |