⚠ 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL27501247 | 0.88 | — | — | |
| Acetonitrile SCHEMBL10051948 | 0.87 | — | — | |
| Acetonitrile SCHEMBL2562219 | 0.87 | TSHR (0.36) | — | |
| Acetonitrile SCHEMBL508545 | 0.87 | — | — | |
| Acetonitrile SCHEMBL1331294 | 0.87 | — | — | |
| Acetonitrile SCHEMBL6693864 | 0.87 | — | — | |
| Acetonitrile SCHEMBL1330624 | 0.87 | — | — | |
| Acetonitrile SCHEMBL10524251 | 0.87 | TSHR (0.36) | — | |
| Acetonitrile SCHEMBL1330705 | 0.87 | — | — | |
| Acetonitrile SCHEMBL10523138 | 0.87 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9533987-B2 | Heterocyclic derivates | KALVISTA PHARMACEUTICALS LIMITED (GB) | 2017-01-03 | — | — | US | disclosed |
| US-20160108036-A1 | HETEROCYCLIC DERIVATES | KALVISTA PHARMACEUTICALS LIMITED (GB) | 2016-04-21 | — | — | US | disclosed |
| US-9199912-B2 | Polymorphs of 4-[2-dimethylamino-1-(1-hydroxycyclohexyl)ethyl]phenyl 4-methylbenzoate hydrochloride, methods of preparing the same and use of the same | SHANDONG LUYE PHARMACEUTICAL CO., LTD. (CN) | 2015-12-01 | — | — | US | disclosed |
| US-20140235728-A1 | POLYMORPHS OF 4-[2-DIMETHYLAMINO-1-(1-HYDROXYCYCLOHEXYL)ETHYL]PHENYL 4-METHYLBENZOATE HYDROCHLORIDE, METHODS OF PREPARING THE SAME AND USE OF THE SAME | SHANDONG LUYE PHARMACEUTICAL CO., LTD. (CN) | 2014-08-21 | — | — | US | disclosed |
| US-8741952-B2 | Polymorphs of 4-[2-dimethylamino-1-(1-hydroxycyclohexyl)ethyl]phenyl 4-methyl-benzoate hydrochloride, methods for preparing the same and use of the same | Shangong Luye Pharmaceutical Co., Ltd. (CN) | 2014-06-03 | — | — | US | disclosed |
| US-20130281531-A1 | POLYMORPHS OF 4-[2-DIMETHYLAMINO-1-(1-HYDROXYCYCLOHEXYL)ETHYL]PHENYL 4-METHYL-BENZOATE HYDROCHLORIDE, METHODS FOR PREPARING THE SAME AND USE OF THE SAME | SHANDONG LUYE PHARMACEUTICAL CO., LTD. (CN) | 2013-10-24 | — | — | US | disclosed |
| EP-2621891-A1 | POLYMORPHS OF 4-[2-DIMETHYLAMINO-1-(1-HYDROXYCYCLOHEXYL)ETHYL]PHENYL 4-METHYLBENZOATE HYDROCHLORIDE, METHODS FOR PREPARING THE SAME AND USE OF THE SAME | Shan Dong Luye Pharmaceutical Co., Ltd. (CN) | 2013-08-07 | — | — | EP | disclosed |
| WO-2012041013-A1 | POLYMORPHS OF 4-[2-DIMETHYLAMINO-1-(1-HYDROXYCYCLOHEXYL)ETHYL]PHENYL 4-METHYLBENZOATE HYDROCHLORIDE, METHODS FOR PREPARING THE SAME AND USE OF THE SAME | SHAN DONG LUYE PHARMACEUTICAL CO., LTD. (CN) | 2012-04-05 | — | — | WO | disclosed |
| US-20090135706-A1 | Optical recording medium, and optical recording method and optical recording apparatus thereof | KYOWA HAKKO CHEMICAL CO., LTD. (JP) | 2009-05-28 | — | — | US | disclosed |
| EP-1861260-A1 | OPTICAL RECORDING MEDIUM, AND OPTICAL RECORDING METHOD AND OPTICAL RECORDING APPARATUS THEREOF | Ricoh Company, Ltd. (JP) | 2007-12-05 | — | — | EP | disclosed |
| WO-2006104021-A1 | OPTICAL RECORDING MEDIUM, AND OPTICAL RECORDING METHOD AND OPTICAL RECORDING APPARATUS THEREOF | RICOH COMPANY, LTD. (JP) | 2006-10-05 | — | — | WO | disclosed |
| US-4988603-A | RAPID DEVELOPMENT OF SILVER HALIDE PHOTOGRAPHIC MATERIAL; PHOTOSENSITIVITY; HIGH DOT QUALITY | KONICA CORPORATION (JP) | 1991-01-29 | — | — | US | disclosed |
| EP-0297117-A4 | BIOLOGICALLY ACTIVE AGENT. | LONG ISLAND JEWISH MED CT (US) | 1990-04-10 | — | — | EP | disclosed |
| EP-0297117-A1 | BIOLOGICALLY ACTIVE AGENT. | LONG ISLAND JEWISH MEDICAL CT (US) | 1989-01-04 | — | — | EP | disclosed |
| WO-1988004175-A1 | BIOLOGICALLY ACTIVE AGENT | LONG ISLAND JEWISH MEDICAL CENTER (US) | 1988-06-16 | — | — | WO | disclosed |
| US-4003943-A | OXIDANTS, IMAGE FORMERS, DYES, CONDUCTORS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1977-01-18 | — | — | US | disclosed |