SCHEMBL21268593

SCHEMBL21268593

PC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 1/20 0.46
CYP2D6 P10635 1/20 0.46
CALM1 P0DP23 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
FDPS P14324 1/20 0.43
TSHR P16473 3/20 0.41
TRPA1 O75762 2/20 0.41
IDO1 P14902 1/20 0.41
TP53 P04637 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KCNA5 P22460 1/20 0.41
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40

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
Bromide SCHEMBL5092797 0.97 SLC6A2 (0.48) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL5086822 0.97 SLC6A2 (0.48) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
Iodide SCHEMBL5086814 0.97 SLC6A2 (0.48) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL17529804 0.85 SLC6A2 (0.48) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL11430285 0.83 MAOB (0.43) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL2526830 0.81 MAOB (0.45) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
Bromide SCHEMBL11791870 0.81 MAOB (0.41) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
Bromide SCHEMBL5091541 0.81 MAOB (0.41) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
Iodide SCHEMBL5091420 0.81 MAOB (0.41) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL11229556 0.81 SLC6A2 (0.45) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4122966-B1 POLYISOCYANATE COMPOSITION, BLOCKED POLYISOCYANATE COMPOSITION, HYDROPHILIC POLYISOCYANATE COMPOSITION, COATING MATERIAL COMPOSITION, AND COATING FILM ASAHI CHEMICAL IND (JP) 2023-12-06 EP disclosed
EP-4122966-A1 POLYISOCYANATE COMPOSITION, BLOCKED POLYISOCYANATE COMPOSITION, HYDROPHILIC POLYISOCYANATE COMPOSITION, COATING MATERIAL COMPOSITION, AND COATING FILM Asahi Kasei Kabushiki Kaisha (JP) 2023-01-25 EP disclosed
CN-114195971-A Polyisocyanate composition, blocked polyisocyanate composition, hydrophilic polyisocyanate composition, coating composition and coating film 旭化成株式会社 2022-03-18 CN disclosed
CN-114163611-A Polyisocyanate composition, blocked polyisocyanate composition, hydrophilic polyisocyanate composition, coating composition and coating film 旭化成株式会社 2022-03-11 CN disclosed
CN-114149564-A Polyisocyanate composition, blocked polyisocyanate composition, hydrophilic polyisocyanate composition, coating composition and coating film 旭化成株式会社 2022-03-08 CN disclosed
CN-114085357-A Polyisocyanate composition, blocked polyisocyanate composition, hydrophilic polyisocyanate composition, coating composition and coating film 旭化成株式会社 2022-02-25 CN disclosed
CN-109843952-B Polyisocyanate composition, blocked polyisocyanate composition, hydrophilic polyisocyanate composition, coating composition and coating film 旭化成株式会社 2021-11-12 CN disclosed
US-11021562-B2 Polyisocyanate composition, blocked polyisocyanate composition, hydrophilic polyisocyanate composition, coating material composition, and coating film ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-06-01 US disclosed
US-20200040124-A1 POLYISOCYANATE COMPOSITION, BLOCKED POLYISOCYANATE COMPOSITION, HYDROPHILIC POLYISOCYANATE COMPOSITION, COATING MATERIAL COMPOSITION, AND COATING FILM ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-02-06 US disclosed
EP-3527594-A1 POLYISOCYANATE COMPOSITION, BLOCK POLYISOCYANATE COMPOSITION, HYDROPHILIC POLYISOCYANATE COMPOSITION, COATING MATERIAL COMPOSITION, AND COATING FILM ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-08-21 EP disclosed