⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL630910 | 0.83 | — | — | |
| SCHEMBL1119793 | 0.82 | — | — | |
| SCHEMBL14689167 | 0.79 | — | — | |
| SCHEMBL15247516 | 0.77 | CYP1A2 (0.34) | — | |
| SCHEMBL36993 | 0.76 | CA1 (0.30) | — | |
| SCHEMBL28447282 | 0.75 | — | — | |
| SCHEMBL2057217 | 0.73 | ALDH1A1 (0.36) | — | |
| SCHEMBL5154385 | 0.72 | EPHX1 (0.31) | — | |
| SCHEMBL114743 | 0.71 | — | — | |
| SCHEMBL631967 | 0.71 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011109276-A8 | EPOXIDATION CATALYSTS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2011-10-13 | — | — | WO | claimed |
| WO-2011109276-A1 | EPOXIDATION CATALYSTS | MASSACHUSSETS INSTITUTE OF TECHNOLOGY (US) | 2011-09-09 | — | — | WO | claimed |
| WO-2011109276-A8 | EPOXIDATION CATALYSTS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2011-10-13 | — | — | WO | disclosed |
| WO-2011109276-A1 | EPOXIDATION CATALYSTS | MASSACHUSSETS INSTITUTE OF TECHNOLOGY (US) | 2011-09-09 | — | — | WO | disclosed |
| EP-1688423-A1 | Silylation of hydroxyl group-containing compounds | Shin-Etsu Chemical Co., Ltd. (JP) | 2006-08-09 | — | — | EP | disclosed |
| EP-1334975-B1 | Silylation of hydroxyl group-containing compounds | SHINETSU CHEMICAL CO (JP) | 2006-07-12 | — | — | EP | disclosed |
| US-6875880-B2 | Silylation of hydroxyl groups | SHIN-ETSU CHEMICAL, CO., LTD. (JP) | 2005-04-05 | — | — | US | disclosed |
| EP-1334975-A1 | Silylation of hydroxyl group-containing compounds | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2003-08-13 | — | — | EP | disclosed |
| US-20030139619-A1 | Silylation of hydroxyl groups | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2003-07-24 | — | — | US | disclosed |