⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27299909 | 0.98 | — | — | |
| SCHEMBL29015823 | 0.80 | HRH2 (0.33) | — | |
| SCHEMBL1483976 | 0.80 | CA2 (0.31) | — | |
| SCHEMBL27775789 | 0.73 | — | — | |
| Piperidine SCHEMBL5623196 | 0.70 | ALDH1A1 (0.41) | — | |
| SCHEMBL3359535 | 0.67 | — | — | |
| SCHEMBL1638911 | 0.66 | — | — | |
| Ethane SCHEMBL28059641 | 0.65 | GNAI3 (0.31) | — | |
| Piperazine SCHEMBL28094340 | 0.65 | GNAI3 (0.31) | — | |
| Hydrochloric Acid SCHEMBL27720435 | 0.65 | GNAI3 (0.35) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113718239-A | Surface treatment method for automobile casting | 江西樟树市福铃内燃机配件有限公司 | 2021-11-30 | — | — | CN | claimed |