⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28515573 | 0.83 | — | — | |
| Boric Acid SCHEMBL362365 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL15827583 | 0.75 | THRB (0.38) | — | |
| Boric Acid SCHEMBL28313275 | 0.74 | ALDH1A1 (0.32) | — | |
| Boric Acid SCHEMBL3103209 | 0.72 | — | — | |
| Boric Acid SCHEMBL28707839 | 0.69 | — | — | |
| Boric Acid SCHEMBL28412431 | 0.69 | ALDH1A1 (0.30) | — | |
| Boric Acid SCHEMBL17962526 | 0.67 | THRB (0.43) | — | |
| Boric Acid SCHEMBL474845 | 0.67 | THRB (0.43) | — | |
| Boric Acid SCHEMBL594481 | 0.67 | THRB (0.43) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117645605-A | Preparation method of high-purity tedizolid phosphate intermediate | 安徽森吉制药有限公司 | 2024-03-05 | — | — | CN | claimed |
| CN-117771378-A | Pharmaceutical composition for improving bioavailability of KRAS inhibitor and application thereof | 贝达药业股份有限公司 | 2024-03-29 | — | — | CN | disclosed |
| CN-117691190-A | Electrolyte for lithium-rich manganese-based positive electrode high-voltage lithium ion battery and lithium ion battery | 万向一二三股份公司 | 2024-03-12 | — | — | CN | disclosed |
| CN-117645605-A | Preparation method of high-purity tedizolid phosphate intermediate | 安徽森吉制药有限公司 | 2024-03-05 | — | — | CN | disclosed |
| WO-2023138524-A1 | KRAS G12D DEGRADATION AGENT AND MEDICAL USE THEREOF | 贝达药业股份有限公司 | 2023-07-27 | — | — | WO | disclosed |
| CN-112105608-B | Process for the preparation of (1- (3-fluoro-2- (trifluoromethyl) isonicotinyl) piperidin-4-one | 因赛特公司 | 2023-07-14 | — | — | CN | disclosed |
| WO-2023072188-A1 | KRAS G12D INHIBITORS AND USE THEREOF IN MEDICINE | 贝达药业股份有限公司 | 2023-05-04 | — | — | WO | disclosed |
| CN-110112465-B | Electrolyte for battery with lithium-rich manganese-based positive electrode material system and lithium ion battery | 东莞东阳光科研发有限公司 | 2022-04-19 | — | — | CN | disclosed |