⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27891094 | 0.95 | — | — | |
| Dimethylamine SCHEMBL7216210 | 0.90 | DRD2 (0.47) | — | |
| SCHEMBL27968336 | 0.81 | DRD2 (0.44) | — | |
| Ammonia Solution, Strong SCHEMBL27571483 | 0.80 | — | — | |
| SCHEMBL27563197 | 0.80 | DRD2 (0.44) | — | |
| SCHEMBL149875 | 0.77 | — | — | |
| Ethyl Acetate SCHEMBL27490578 | 0.77 | CYP1A2 (0.51) | — | |
| SCHEMBL25555331 | 0.77 | ACHE (0.43) | — | |
| SCHEMBL8671494 | 0.75 | TAAR1 (0.71) | — | |
| SCHEMBL9357255 | 0.75 | TAAR1 (0.56) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104447731-A | Preparation method of 2-formylamine-5-(2-sulfhydryl-1, 3-thiazole-4-base)-thiophene | CHEER FINE PHARMACEUTICAL ANHUI CO LTD | 2015-03-25 | — | — | CN | claimed |
| WO-2021027304-A1 | ANALGESIC COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF | 上海海雁医药科技有限公司 | 2021-02-18 | — | — | WO | disclosed |
| CN-104447731-A | Preparation method of 2-formylamine-5-(2-sulfhydryl-1, 3-thiazole-4-base)-thiophene | CHEER FINE PHARMACEUTICAL ANHUI CO LTD | 2015-03-25 | — | — | CN | disclosed |
| CN-104447731-A | Preparation method of 2-formylamine-5-(2-sulfhydryl-1, 3-thiazole-4-base)-thiophene | CHEER FINE PHARMACEUTICAL ANHUI CO LTD | 2015-03-25 | — | — | CN | disclosed |
| US-8946260-B2 | 17α-hydroxylase/C17,20-lyase inhibitors | NOVARTIS AG (CH) | 2015-02-03 | — | — | US | disclosed |
| US-20140045872-A1 | 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS | NOVARTIS AG (CH) | 2014-02-13 | — | — | US | disclosed |
| CN-101585842-B | Research and control method of impurity B control method in clopidogrel | BEIJING SECOND PHARMACEUTICAL CO LTD | 2011-07-20 | — | — | CN | disclosed |
| CN-101585842-A | Research and control method of impurity B control method in clopidogrel | BEIJING SECOND PHARMACEUTICAL (CN) | 2009-11-25 | — | — | CN | disclosed |