⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9846593 | 0.93 | TBXAS1 (0.58) | — | |
| SCHEMBL27748532 | 0.91 | TBXAS1 (0.56) | — | |
| Hydrochloric Acid SCHEMBL8117523 | 0.90 | TBXAS1 (0.62) | — | |
| SCHEMBL9067 | 0.88 | — | — | |
| SCHEMBL3431746 | 0.88 | TBXAS1 (0.66) | — | |
| SCHEMBL9777191 | 0.88 | TBXAS1 (0.60) | — | |
| Hydrochloric Acid SCHEMBL4720278 | 0.86 | — | — | |
| SCHEMBL28062565 | 0.86 | TBXAS1 (0.69) | — | |
| SCHEMBL503743 | 0.86 | TBXAS1 (0.69) | — | |
| SCHEMBL285224 | 0.83 | TERT (0.59) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112174938-A | 4-indole-2-aminopyrimidine compounds and application thereof | 浙江工业大学 | 2021-01-05 | — | — | CN | claimed |
| CN-109999769-A | A kind of preparation method of the functional solid phase carrier for efficient separating Tryptophan enantiomer | 常州大学 | 2019-07-12 | — | — | CN | claimed |
| CN-112174938-A | 4-indole-2-aminopyrimidine compounds and application thereof | 浙江工业大学 | 2021-01-05 | — | — | CN | disclosed |
| CN-109999769-A | A kind of preparation method of the functional solid phase carrier for efficient separating Tryptophan enantiomer | 常州大学 | 2019-07-12 | — | — | CN | disclosed |
| EP-1330452-A2 | PYRAZINE DERIVATIVES AS MODULATORS OF TYROSINE KINASES | Ortho-McNeil Pharmaceutical, Inc. (US) | 2003-07-30 | — | — | EP | disclosed |
| WO-2002024681-A2 | PYRAZINE DERIVATIVES AS MODULATORS OF TYROSINE KINASES | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2002-03-28 | — | — | WO | disclosed |
| EP-1032383-A4 | ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMEMT | MERCK & CO INC (US) | 2001-11-21 | — | — | EP | disclosed |
| US-6160118-A | Process for the synthesis of substituted piperazinones via Mitsunobu reaction | MERCK & CO., INC. (US) | 2000-12-12 | — | — | US | disclosed |
| EP-1032383-A1 | ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMEMT | Merck & Co., Inc. (US) | 2000-09-06 | — | — | EP | disclosed |
| WO-2000001678-A1 | PROCESS FOR THE SYNTHESIS OF SUBSTITUTED PIPERAZINONES VIA MITSUNOBU REACTION | MERCK & CO., INC. (US) | 2000-01-13 | — | — | WO | disclosed |
| WO-1999020269-A1 | ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMEMT | MERCK & CO., INC. (US) | 1999-04-29 | — | — | WO | disclosed |
| EP-0823900-A1 | QUINAZOLINE DERIVATIVES | ZENECA LIMITED (GB) | 1998-02-18 | — | — | EP | disclosed |
| WO-1996033980-A1 | QUINAZOLINE DERIVATIVES | ZENECA LIMITED (GB) | 1996-10-31 | — | — | WO | disclosed |
| EP-0455909-A2 | 5-[1-(Imidazol)methyl]-3,3-disubstituted-2(3H) furanone derivatives | MARION MERRELL DOW INC. (US) | 1991-11-13 | — | — | EP | disclosed |
| US-5039691-A | Anticholinergic agents | MARION MERRELL DOW INC. (US) | 1991-08-13 | — | — | US | disclosed |