⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5157282 | 0.80 | — | — | |
| SCHEMBL7934148 | 0.72 | TSHR (0.39) | — | |
| SCHEMBL3525406 | 0.72 | TSHR (0.34) | — | |
| SCHEMBL14871942 | 0.70 | APP (0.46) | — | |
| SCHEMBL7003234 | 0.70 | F2 (0.42) | — | |
| SCHEMBL12341620 | 0.70 | TUBB4A (0.34) | — | |
| SCHEMBL25080938 | 0.69 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL7999281 | 0.69 | — | — | |
| SCHEMBL621820 | 0.68 | — | — | |
| SCHEMBL5158137 | 0.68 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3611165-A1 | PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT | Mitsui Chemicals Agro, Inc. (JP) | 2020-02-19 | — | — | EP | disclosed |
| US-20170267656-A1 | PYRAZOLYL-SUBSTITUTED PYRIDONE COMPOUNDS AS SERINE PROTEASE INHIBITORS | VERSEON INTERNATIONAL CORPORATION | 2017-09-21 | — | — | US | disclosed |
| CN-102153562-B | Spiro-oxindole compounds and their uses as therapeutic agents | XENON PHARMACEUTICALS INC | 2015-05-13 | — | — | CN | disclosed |
| CN-102153562-A | Spiro-oxindole compounds and their uses as therapeutic agents | XENON PHARMACEUTICALS INC | 2011-08-17 | — | — | CN | disclosed |
| CN-101184761-A | Spiro-indolone compounds and their use as therapeutic agents | XENON PHARMACEUTICALS INC (CA) | 2008-05-21 | — | — | CN | disclosed |
| EP-1140896-A1 | BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 | Takeda Chemical Industries, Ltd. (JP) | 2001-10-10 | — | — | EP | disclosed |
| US-6235771-B1 | AIDS THERPAY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-05-22 | — | — | US | disclosed |
| WO-2000037455-A1 | BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-06-29 | — | — | WO | disclosed |
| US-5266703-A | Optically active isoxazole derivatives | DAISO CO., LTD. (JP) | 1993-11-30 | — | — | US | disclosed |
| US-5220074-A | Optically active isoxazole derivatives and intermediates for preparation thereof as well as processes for producing the same | DAISO CO., LTD. (JP) | 1993-06-15 | — | — | US | disclosed |
| US-5210201-A | Optically active isoxazole derivatives and intermediates for preparation thereof as well as processes for producing the same | DAISO CO., LTD. (JP) | 1993-05-11 | — | — | US | disclosed |
| US-5198588-A | OPTICALLY ACTIVE ISOXAZOLE DERIVATIVES AND INTERMEDIATES FOR PREPARATION THEREOF | DAISO CO., LTD. (JP) | 1993-03-30 | — | — | US | disclosed |
| EP-0439129-A2 | Optically active isoxazole derivatives and intermediates for preparation thereof as well as processes for producing the same | Daiso Co., Ltd. (JP) | 1991-07-31 | — | — | EP | disclosed |