⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9540191 | 0.75 | — | — | |
| SCHEMBL987539 | 0.71 | TSHR (0.30) | — | |
| SCHEMBL767325 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL10429387 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL10429374 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL9852397 | 0.67 | — | — | |
| SCHEMBL1679524 | 0.67 | — | — | |
| SCHEMBL9187321 | 0.67 | — | — | |
| SCHEMBL24235 | 0.67 | — | — | |
| SCHEMBL21422777 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119365454-A | Discovery of covalent EGFR inhibitors through cysteine 775 | 丹娜-法伯癌症研究院 | 2025-01-24 | — | — | CN | disclosed |
| US-20240018121-A1 | NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE | FOX CHASE CHEMCIAL DIVERSITY CENTER, INC. (US) | 2024-01-18 | — | — | US | disclosed |
| WO-2011005098-A1 | PEPTIDE LIGANDS FOR TARGETING TO THE BLOOD-BRAIN BARRIER | ABBOTT HEALTHCARE PRODUCTS B.V. (NL) | 2011-01-13 | — | — | WO | disclosed |
| US-5436361-A | Deprotonation using bases with propargyl halides | CLEMSON UNIVERSITY (US) | 1995-07-25 | — | — | US | disclosed |
| US-4877779-A | CALCIUM CHANNEL BLOCKERS; TREATMENT OF IRRITABLE BOWEL SYNDROME | MARION LABORATORIES, INC. (US) | 1989-10-31 | — | — | US | disclosed |
| US-3940425-A | Process for the production of polyunsaturated compounds | BAYER AKTIENGESELLSCHAFT (DT) | 1976-02-24 | — | — | US | disclosed |