⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL859262 | 1.00 | — | — | |
| SCHEMBL18072550 | 1.00 | — | — | |
| Lactic Acid SCHEMBL10808307 | 0.80 | — | — | |
| SCHEMBL928 | 0.78 | — | — | |
| Isopropyl Alcohol SCHEMBL28444962 | 0.78 | ALDH1A1 (0.55) | — | |
| Lactic Acid SCHEMBL11834368 | 0.77 | TP53 (0.79) | — | |
| SCHEMBL1066789 | 0.75 | — | — | |
| SCHEMBL334917 | 0.75 | — | — | |
| Isopropyl Alcohol SCHEMBL22797822 | 0.75 | — | — | |
| SCHEMBL4650548 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116444494-A | Compound for targeted degradation of BUB1B and BUB1 protein, and preparation method and application thereof | 浙江大学 | 2023-07-18 | — | — | CN | disclosed |
| CN-114685488-A | Compounds as SOS1 inhibitors and uses thereof | 南京圣和药业股份有限公司 | 2022-07-01 | — | — | CN | disclosed |