⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL40745 | 0.76 | MCL1 (0.31) | — | |
| SCHEMBL15654795 | 0.74 | — | — | |
| SCHEMBL18860926 | 0.74 | — | — | |
| SCHEMBL28002860 | 0.73 | HTR1A (0.35) | — | |
| SCHEMBL1636355 | 0.71 | CA1 (0.35) | — | |
| SCHEMBL1638285 | 0.71 | TRPA1 (0.34) | — | |
| SCHEMBL11409784 | 0.70 | HDAC8 (0.34) | — | |
| SCHEMBL7769605 | 0.70 | RECQL (0.31) | — | |
| SCHEMBL7049757 | 0.69 | ACHE (0.38) | — | |
| SCHEMBL2973 | 0.69 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1692115-A | Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group | TAISHO PHARMACEUTICAL CO LTD (JP) | 2005-11-02 | — | — | CN | disclosed |
| EP-0987567-B1 | A sulfur-containing (thio)ether (co)polymer and a use thereof | MITSUI CHEMICALS INC (JP) | 2004-04-07 | — | — | EP | disclosed |
| US-6320020-B1 | POLYMER OR COPOLYMER CONTAINING A SULFUR ATOM WHOSE PRINCIPAL BACKBONE COMPRISES ETHER AND/OR THIOETHER BONDS; OPTICAL DISK SUBSTRATE; A LIQUID-CRYSTAL PLASTIC SUBSTRATE; VARIOUS OPTICAL LENSES INCLUDING AN EYEGLASS; AND AN LED SEALING COAT. | MITSUI CHEMICALS, INC. (JP) | 2001-11-20 | — | — | US | disclosed |
| EP-0987567-A1 | A sulfur-containing (thio)ether (co)polymer and a use thereof | Mitsui Chemicals, Inc. (JP) | 2000-03-22 | — | — | EP | disclosed |
| US-4292232-A | Process for the mass coloration of thermoplastics with anthraquinonylaminotraizines | CIBA-GEIGY CORPORATION (US) | 1981-09-29 | — | — | US | disclosed |
| US-4151279-A | Fungicidal N-carbamyloxy-2,3-disubstituted 4-trihalomethyl-6-oxotetrahydro-1,3-oxazines | CHEVRON RESEARCH COMPANY (US) | 1979-04-24 | — | — | US | disclosed |