⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30405759 | 0.97 | — | — | |
| Naphthalene SCHEMBL329188 | 0.79 | GAA (0.41) | — | |
| SCHEMBL11954364 | 0.74 | — | — | |
| SCHEMBL11953953 | 0.74 | — | — | |
| SCHEMBL3155305 | 0.74 | — | — | |
| SCHEMBL8351976 | 0.74 | FFAR3 (0.35) | — | |
| SCHEMBL1269374 | 0.74 | FFAR3 (0.35) | — | |
| Hydrochloric Acid SCHEMBL1269707 | 0.72 | FFAR3 (0.33) | — | |
| Hydrochloric Acid SCHEMBL11296585 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL11296588 | 0.72 | — | — |
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-109876600-A | The removing method and sour gas removing device of acid gas absorbent, sour gas | 株式会社东芝 | 2019-06-14 | — | — | CN | claimed |
| CN-109876600-A | The removing method and sour gas removing device of acid gas absorbent, sour gas | 株式会社东芝 | 2019-06-14 | — | — | CN | disclosed |