⚠ 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 | |
|---|---|---|---|---|
| Isobutanol SCHEMBL9949954 | 0.93 | TSHR (0.60) | — | |
| Isobutanol SCHEMBL27873135 | 0.90 | TSHR (0.56) | — | |
| Isobutanol SCHEMBL27702082 | 0.89 | TSHR (0.64) | — | |
| Isobutanol SCHEMBL10277757 | 0.89 | — | — | |
| Isobutanol SCHEMBL7549673 | 0.86 | TSHR (0.60) | — | |
| Isobutanol SCHEMBL175952 | 0.83 | TSHR (1.00) | — | |
| Isobutanol SCHEMBL11800894 | 0.83 | TSHR (1.00) | — | |
| Isobutanol SCHEMBL969 | 0.83 | — | — | |
| Isobutanol SCHEMBL10889558 | 0.83 | TDP1 (0.62) | — | |
| Pyruvate SCHEMBL1373746 | 0.83 | TSHR (0.56) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5662883-A | DISSOLVE IN BASE, ADD AQUEOUS SURFACE MODIFIER, NEUTRALIZE WITH ACID TO FORM DISPERSION | NANOSYSTEMS L.L.C. (US) | 1997-09-02 | — | — | US | claimed |
| CN-115181295-A | Controllable preparation method of polymer composite microparticles with various complex morphologies | 浙江工业大学 | 2022-10-14 | — | — | CN | disclosed |
| CN-115160177-A | Novel method for synthesizing 2-amino-4-acetamino anisole | 浙江省常山长盛化工有限公司 | 2022-10-11 | — | — | CN | disclosed |
| CN-115160149-A | Method for preparing m-phenylenediamine from 2, 4-dinitrochlorobenzene | 浙江省常山长盛化工有限公司 | 2022-10-11 | — | — | CN | disclosed |
| CN-105849646-B | Electrophoto-graphic toner | 花王株式会社 | 2019-10-18 | — | — | CN | disclosed |
| CN-110099971-A | Aqueous pigment dispersions | 花王株式会社 | 2019-08-06 | — | — | CN | disclosed |
| CN-109997263-A | Negative electrode for nonaqueous electrolyte secondary battery and nonaqueous electrolyte secondary battery | 第一工业制药株式会社 | 2019-07-09 | — | — | CN | disclosed |
| CN-109313289-A | OPTICAL LAMINATE, POLARIZING PLATE, AND DISPLAY DEVICE | 株式会社凸版巴川光学薄膜 | 2019-02-05 | — | — | CN | disclosed |
| CN-105916937-B | Resin combination | 电化株式会社 | 2018-11-16 | — | — | CN | disclosed |
| CN-104487474-B | Resin composition | 电化株式会社 | 2018-01-12 | — | — | CN | disclosed |
| CN-105916937-A | Resin composition | 电化株式会社 | 2016-08-31 | — | — | CN | disclosed |
| CN-105849646-A | Toner for electrophotography | 花王株式会社 | 2016-08-10 | — | — | CN | disclosed |
| CN-101423622-A | Preparation method of high oil absorption resin | PETROCHINA CO LTD (CN) | 2009-05-06 | — | — | CN | disclosed |
| US-4233362-A | Water-soluble air-oxidizing acrylic coatings | ROHM AND HAAS COMPANY (US) | 1980-11-11 | — | — | US | disclosed |