SCHEMBL28514959

SCHEMBL28514959

Cc1ccc2ccccc2c1.[LiH]

nearest known ligand 0.94

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 11/20 0.94
TDP1 Q9NUW8 1/20 0.94
CYP1A2 P05177 10/20 0.72
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NQO2 P16083 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL29372904 0.97 CYP2A6 (1.00) CYP2A6TDP1CYP1A2ALDH1A1CYP3A4
SCHEMBL28081333 0.97 CYP2A6 (1.00) CYP2A6TDP1CYP1A2ALDH1A1CYP3A4
SCHEMBL36453 0.97 CYP2A6 (1.00) CYP2A6TDP1CYP1A2ALDH1A1CYP3A4
SCHEMBL10886090 0.94 CYP2A6 (0.94) CYP2A6TDP1CYP1A2ALDH1A1CYP3A4
Methane SCHEMBL16096368 0.94 CYP2A6 (0.94) CYP2A6TDP1CYP1A2ALDH1A1CYP3A4
Ethane SCHEMBL11323050 0.94 CYP2A6 (0.94) CYP2A6TDP1CYP1A2ALDH1A1CYP3A4
SCHEMBL10886086 0.94 CYP2A6 (0.94) CYP2A6TDP1CYP1A2ALDH1A1CYP3A4
Lithium SCHEMBL31073469 0.94 CYP2A6 (0.94) CYP2A6TDP1CYP1A2ALDH1A1CYP3A4
SCHEMBL28850499 0.94 CYP2A6 (0.94) CYP2A6TDP1CYP1A2ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL7988310 0.94 CYP2A6 (0.94) CYP2A6TDP1CYP1A2ALDH1A1CYP3A4

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118619260-A Method for controllably preparing graphene with different layers and high quality 武汉大学 2024-09-10 CN claimed
CN-112382749-B Lithium ion battery anode material and preparation method thereof 华中科技大学 2024-04-12 CN claimed
CN-117059751-A Technological method for pre-lithiation of silicon nano negative electrode and negative electrode plate 拓米(成都)应用技术研究院有限公司 2023-11-14 CN claimed
CN-115117469-A Alkali metal fluoride/carbon composite material and preparation and application thereof 华中科技大学 2022-09-27 CN claimed
CN-113764762-A Method for synthesizing high-performance lithium ion battery anode material by using waste lithium ion battery 华中科技大学 2021-12-07 CN claimed
CN-112382749-A Lithium ion battery anode material and preparation method thereof 华中科技大学 2021-02-19 CN claimed
CN-112271349-A Method for recycling lithium ion positive electrode and recycled lithium ion positive electrode material 华中科技大学 2021-01-26 CN claimed
CN-112271290-A Method for preparing lithium-containing titanium niobate (LTNO) material or negative electrode and application 华中科技大学 2021-01-26 CN claimed
CN-118619260-A Method for controllably preparing graphene with different layers and high quality 武汉大学 2024-09-10 CN disclosed
CN-112382749-B Lithium ion battery anode material and preparation method thereof 华中科技大学 2024-04-12 CN disclosed
CN-117059751-A Technological method for pre-lithiation of silicon nano negative electrode and negative electrode plate 拓米(成都)应用技术研究院有限公司 2023-11-14 CN disclosed
CN-115117469-A Alkali metal fluoride/carbon composite material and preparation and application thereof 华中科技大学 2022-09-27 CN disclosed
CN-113764762-A Method for synthesizing high-performance lithium ion battery anode material by using waste lithium ion battery 华中科技大学 2021-12-07 CN disclosed
CN-112382749-A Lithium ion battery anode material and preparation method thereof 华中科技大学 2021-02-19 CN disclosed
CN-112271290-A Method for preparing lithium-containing titanium niobate (LTNO) material or negative electrode and application 华中科技大学 2021-01-26 CN disclosed
CN-112271349-A Method for recycling lithium ion positive electrode and recycled lithium ion positive electrode material 华中科技大学 2021-01-26 CN disclosed