⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28456561 | 0.70 | — | — | |
| SCHEMBL25487333 | 0.68 | — | — | |
| SCHEMBL19734963 | 0.68 | — | — | |
| SCHEMBL27597242 | 0.67 | — | — | |
| Water SCHEMBL2594625 | 0.67 | — | — | |
| SCHEMBL6414666 | 0.67 | — | — | |
| SCHEMBL28774597 | 0.67 | TDP1 (0.50) | — | |
| SCHEMBL2590780 | 0.67 | — | — | |
| SCHEMBL1889832 | 0.67 | — | — | |
| SCHEMBL136969 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-53092787-A | — | — | None | — | — | JP | disclosed |
| JP-3090059-A | — | — | None | — | — | JP | disclosed |
| CN-117165931-A | Sulfur-group-based phosphorus-free prefilming agent and preparation method and application thereof | 江苏中电创新环境科技有限公司 | 2023-12-05 | — | — | CN | disclosed |
| US-9550851-B2 | Functional materials with reversible crosslinking | EVONIK ROEHM GMBH (DE) | 2017-01-24 | — | — | US | disclosed |
| JP-H0390059-A | COMPOUND ACTING ON CIRCULATORY SYSTEM AND PRODUCTION THEREOF | HIDAKA HIROYOSHI | 1991-04-16 | — | — | JP | disclosed |
| JP-S5392787-A | 2,3-DICYANE-1,4-DITHIA-ANTHRAQUINONE AND PROCESS FOR ITS PREPARATION | KAWASAKI KASEI CHEM LTD | 1978-08-15 | — | — | JP | disclosed |
| US-3980600-A | ADJUSTING PH OF LATEX WITH HYDROXIDE OF GROUPS IA, IB, IIA AND IIB | STANDARD OIL COMPANY (US) | 1976-09-14 | — | — | US | disclosed |