⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11825144 | 0.77 | — | — | |
| SCHEMBL11204495 | 0.74 | — | — | |
| SCHEMBL1707413 | 0.74 | — | — | |
| SCHEMBL11033033 | 0.72 | — | — | |
| SCHEMBL10875255 | 0.70 | CA2 (0.35) | — | |
| SCHEMBL11276387 | 0.70 | CA2 (0.35) | — | |
| SCHEMBL11277211 | 0.70 | CA2 (0.35) | — | |
| SCHEMBL11270897 | 0.70 | CA2 (0.35) | — | |
| SCHEMBL27497700 | 0.69 | LMNA (0.32) | — | |
| SCHEMBL10496025 | 0.69 | DGAT1 (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111032655-B | EGFR and/or HER2 inhibitors and methods of use | 达纳-法伯癌症研究所股份有限公司 | 2022-09-02 | — | — | CN | disclosed |
| CN-111032655-A | EGFR and/or HER2 inhibitors and methods of use | 达纳-法伯癌症研究所股份有限公司 | 2020-04-17 | — | — | CN | disclosed |
| CN-1107666-C | Synthesis process of alpha, alpha-dihalogen pentaneldial, dihalogen acid and their derivative | GUANGZHOU INST OF CHEMISTRY (CN) | 2003-05-07 | — | — | CN | disclosed |
| CN-1277178-A | Synthesis process of alpha, alpha-dihalogen pentaneldial, dihalogen acid and their derivative | GUANGZHOU INST OF CHEMISTRY AC (CN) | 2000-12-20 | — | — | CN | disclosed |