⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11323743 | 0.82 | — | — | |
| SCHEMBL17769062 | 0.73 | — | — | |
| SCHEMBL18494911 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL10814469 | 0.71 | — | — | |
| SCHEMBL21693512 | 0.71 | — | — | |
| SCHEMBL24526894 | 0.71 | — | — | |
| SCHEMBL11520597 | 0.71 | — | — | |
| SCHEMBL23071447 | 0.69 | — | — | |
| SCHEMBL22125841 | 0.69 | MAPT (0.35) | — | |
| SCHEMBL21379916 | 0.68 | TOP2A (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116981667-A | Heterocyclic inhibitors of EGFR and/or HER2 for cancer treatment | 蝎子疗法股份有限公司 | 2023-10-31 | — | — | CN | disclosed |
| WO-2015069932-A1 | POLYNUCLEOTIDE CONSTRUCTS HAVING DISULFIDE GROUPS | SOLSTICE BIOLOGICS, LTD. (IE) | 2015-05-14 | — | — | WO | disclosed |
| US-4282008-A | METHANOL AND/OR ETHANOL; REACTION PRODUCT OF ISATOIC ANHYDRIDE, AMINOTRIAZOLE, POLY-PRIMARY AMINE; CORROSION RESISTANCE | TEXACO INC. (US) | 1981-08-04 | — | — | US | disclosed |