⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30602696 | 0.83 | L3MBTL1 (0.38) | — | |
| SCHEMBL9876585 | 0.80 | FDPS (0.32) | — | |
| SCHEMBL9876905 | 0.77 | FDPS (0.36) | — | |
| SCHEMBL11653880 | 0.77 | — | — | |
| SCHEMBL11658883 | 0.77 | FDPS (0.30) | — | |
| SCHEMBL9876483 | 0.73 | CA12 (0.37) | — | |
| SCHEMBL2788515 | 0.72 | ALDH1A1 (0.41) | — | |
| SCHEMBL237154 | 0.71 | — | — | |
| SCHEMBL3529096 | 0.70 | MEN1 (0.31) | — | |
| SCHEMBL11659162 | 0.69 | L3MBTL1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5468499-A | Anticancer treatment | OHIO STATE UNIVERSITY (US) | 1995-11-21 | — | — | US | claimed |
| CN-104817686-B | Reactive epoxy resin flame retardant and preparation method thereof | 沈阳化工大学 | 2017-01-11 | — | — | CN | disclosed |
| CN-104817686-A | Reactive epoxy resin flame retardant and preparation method thereof | UNIV SHENYANG CHEMICAL TECH | 2015-08-05 | — | — | CN | disclosed |
| US-5468499-A | Anticancer treatment | OHIO STATE UNIVERSITY (US) | 1995-11-21 | — | — | US | disclosed |
| US-5468499-A | Anticancer treatment | OHIO STATE UNIVERSITY (US) | 1995-11-21 | — | — | US | disclosed |
| US-5010201-A | Process for the preparation of substituted 2-chloropyridines | BAYER AKTIENGESELLSCHAFT (DE) | 1991-04-23 | — | — | US | disclosed |
| US-4082793-A | AROMATIC PHOSPHINIC ACIDS CONTAINING SULFONE LINKAGE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1978-04-04 | — | — | US | disclosed |