⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7984375 | 1.00 | — | — | |
| SCHEMBL1560870 | 0.92 | ALDH1A1 (0.31) | — | |
| SCHEMBL1560875 | 0.92 | ALDH1A1 (0.31) | — | |
| SCHEMBL671719 | 0.92 | ALDH1A1 (0.31) | — | |
| SCHEMBL1560867 | 0.92 | ALDH1A1 (0.31) | — | |
| SCHEMBL17798840 | 0.89 | ALDH1A1 (0.31) | — | |
| SCHEMBL3679724 | 0.84 | — | — | |
| SCHEMBL7972663 | 0.84 | — | — | |
| SCHEMBL1263403 | 0.84 | — | — | |
| SCHEMBL11706657 | 0.83 | — | — |
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-10231970-B2 | Methods of producing heteropolycycles via bis-epoxidation | NV Heterocycles (US) | 2019-03-19 | — | — | US | disclosed |
| US-9937172-B2 | Mixtures of heteropolycycles | LIGHTNER DEREK ALTON (US) | 2018-04-10 | — | — | US | disclosed |
| US-20170305907-A1 | METHODS OF PRODUCING HETEROPOLYCYCLES VIA BIS-EPOXIDATION | LIGHTNER DEREK ALTON (US) | 2017-10-26 | — | — | US | disclosed |
| US-20160158229-A1 | Mixtures of Heteropolycycles | LIGHTNER DEREK ALTON (US) | 2016-06-09 | — | — | US | disclosed |
| WO-2016054123-A1 | METHODS OF PRODUCING HETEROPOLYCYCLES VIA BIS-EPOXIDATION | LIGHTNER DEREK (US) | 2016-04-07 | — | — | WO | disclosed |
| US-6291068-B1 | CORES WITH COATING LAYER, AMMONIUM POLYPHOSPHATE AND THERMOSETTING RESIN, MELAMINE MONOMER OR SURFACE TREATED LAYER | CHISSO CORPORATION (JP) | 2001-09-18 | — | — | US | disclosed |
| EP-0924166-A1 | THERMOPLASTIC-COATED AMMONIUM POLYPHOSPHATE AND PROCESS FOR THE PREPARATION THEREOF | CHISSO CORPORATION (JP) | 1999-06-23 | — | — | EP | disclosed |