⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL65108 | 0.89 | — | — | |
| Iodide SCHEMBL27655122 | 0.87 | — | — | |
| Methane SCHEMBL27872321 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL7285171 | 0.87 | — | — | |
| SCHEMBL27150056 | 0.87 | — | — | |
| SCHEMBL28166139 | 0.85 | — | — | |
| Methyl Alcohol SCHEMBL28332990 | 0.84 | — | — | |
| Bromide SCHEMBL8068623 | 0.84 | — | — | |
| Urea SCHEMBL28179593 | 0.76 | HTT (0.36) | — | |
| Acetic Acid SCHEMBL1487896 | 0.76 | NOTUM (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107004912-A | Electrolyte and metal hydride battery | 巴斯夫公司 | 2017-08-01 | — | — | CN | claimed |
| CN-109790292-A | Process for preparing polybenzazole polymer (P) | 巴斯夫欧洲公司 | 2019-05-21 | — | — | CN | disclosed |