⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28322425 | 0.82 | — | — | |
| SCHEMBL3122429 | 0.81 | ALDH1A1 (0.38) | — | |
| SCHEMBL3486943 | 0.78 | — | — | |
| SCHEMBL12173787 | 0.78 | TRPV1 (0.30) | — | |
| SCHEMBL6603742 | 0.77 | — | — | |
| SCHEMBL21000839 | 0.77 | — | — | |
| SCHEMBL10100003 | 0.75 | — | — | |
| SCHEMBL10679392 | 0.75 | TSHR (0.39) | — | |
| SCHEMBL10835137 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL9026 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080220267-A1 | Glyceride Compounds And Uses Thereof | KEELE UNIVERSITY (GB) | 2008-09-11 | — | — | US | disclosed |
| US-5059734-A | Process for selectively producing C5 to C18 straight chain α olefins | CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) | 1991-10-22 | — | — | US | disclosed |
| US-5059733-A | From a mixture of C6 olefin isomers | CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) | 1991-10-22 | — | — | US | disclosed |
| US-5057638-A | Process for making 1-hexene from 1-butene | CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) | 1991-10-15 | — | — | US | disclosed |