⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6256291 | 0.76 | — | — | |
| Azetidine SCHEMBL11889076 | 0.69 | CA2 (0.36) | — | |
| SCHEMBL829063 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL10986584 | 0.67 | — | — | |
| SCHEMBL22342164 | 0.54 | CA1 (0.31) | — | |
| SCHEMBL16904 | 0.54 | ALDH1A1 (0.42) | — | |
| Bicarbonate SCHEMBL6153655 | 0.51 | — | — | |
| Bicarbonate SCHEMBL30203844 | 0.51 | — | — | |
| SCHEMBL41741 | 0.51 | — | — | |
| Bicarbonate SCHEMBL18280952 | 0.51 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0078853-B1 | PROCESS FOR PREPARING BETA-CHLOROALANINE | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1985-11-13 | — | — | EP | claimed |
| CN-111051605-B | Artificial leather and method for producing same | 乐金华奥斯株式会社 | 2023-04-18 | — | — | CN | disclosed |
| EP-1309550-A4 | OPTICALLY ACTIVE AZIRIDINE-2-CARBOXYLATE DERIVATIVES AND A PROCESS FOR PREPARING THEM | CHEMBIONEX CO LTD (KR) | 2004-07-07 | — | — | EP | disclosed |
| EP-1309550-A1 | OPTICALLY ACTIVE AZIRIDINE-2-CARBOXYLATE DERIVATIVES AND A PROCESS FOR PREPARING THEM | Chembionex Co., Ltd (KR) | 2003-05-14 | — | — | EP | disclosed |
| WO-2002012186-A1 | OPTICALLY ACTIVE AZIRIDINE-2-CARBOXYLATE DERIVATIVES AND A PROCESS FOR PREPARING THEM | CHEMBIONEX CO., LTD. (KR) | 2002-02-14 | — | — | WO | disclosed |