SCHEMBL6935237

SCHEMBL6935237

CCCCC(CC)CN.[Ni]

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.95
TDP1 Q9NUW8 2/20 0.95
CYP3A4 P08684 5/20 0.52
TSHR P16473 4/20 0.52
CA2 P00918 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP2D6 P10635 2/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
ATM Q13315 1/20 0.39
CA1 P00915 1/20 0.38

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
SCHEMBL2599658 0.97
SCHEMBL28690 0.97
SCHEMBL9004577 0.97 ALDH1A1 (1.00) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL13478297 0.97
Water SCHEMBL1584914 0.95 ALDH1A1 (0.95) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL7205000 0.95
Methylamine SCHEMBL6868280 0.95 ALDH1A1 (0.95) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL1931933 0.95 ALDH1A1 (0.95) ALDH1A1TDP1CYP3A4TSHRCA2
Bromide SCHEMBL3913876 0.95 ALDH1A1 (0.95) ALDH1A1TDP1CYP3A4TSHRCA2
Hydrochloric Acid SCHEMBL2772983 0.95 ALDH1A1 (0.95) ALDH1A1TDP1CYP3A4TSHRCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240263023-A1 A Transparent Film-Forming Composition for Producing a Near-Infrared Shielding Coating and a Method of Producing Thereof KRISTALBOND TECHNOLOGIES SDN BHD (MY) 2024-08-08 US disclosed
CN-113646052-B Reversible thermochromic composition, reversible thermochromic microcapsule pigment, and writing instrument 百乐墨水株式会社 2024-05-17 CN disclosed
WO-2022255859-A1 A TRANSPARENT FILM-FORMING COMPOSITION FOR PRODUCING A NEAR-INFRARED SHIELDING COATING AND A METHOD OF PRODUCING THEREOF KRISTALBOND TECHNOLOGIES SDN BHD (MY) 2022-12-08 WO disclosed
EP-1024165-B1 STABILIZER COMPOSITION FOR ORGANIC POLYMERIC MATERIALS CONTAINING 6-HYDROXYCHROMAN COMPOUNDS AND ORGANIC POLYMERIC MATERIAL COMPOSITIONS API CORP (JP) 2003-07-09 EP disclosed
US-6465548-B1 6-HYDROXYCHROMAN DERIVATIVE WITH PHOSPHORUS AND PHENOLIC ANTIOXIDANTS; HEAT, LIGHT AND OXIDATION STABILITY DURING MOLDING YOSHITOMI FINE CHEMICALS, LTD. (JP) 2002-10-15 US disclosed
EP-1024165-A1 STABILIZER COMPOSITION FOR ORGANIC POLYMERIC MATERIALS CONTAINING 6-HYDROXYCHROMAN COMPOUNDS AND ORGANIC POLYMERIC MATERIAL COMPOSITIONS Yoshitomi Fine Chemicals, Ltd. (JP) 2000-08-02 EP disclosed
US-5648446-A ADHESIVES, FIREPROOFING, HEAT RESISTANCE IN RESINS FOR MOLDING MATERIALS MITSUI TOATSU CHEMICALS, INC. (JP) 1997-07-15 US disclosed
US-5646240-A THERMOSETTING MOLDING COMPOSITIONS MITSUI TOATSU CHEMICALS, INC. (JP) 1997-07-08 US disclosed
US-5596039-A FLAME RETARDERS, HEAT RESISTANCE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-01-21 US disclosed
US-5569726-A USEFUL IN FLAME-RETARDING, THERMAL STABILIZATION AND COMPATIBILIZATION OF RESINS AND IN THERMOSETTING MOLDING COMPOSITIONS MITSUI TOATSU CHEMICALS, INC. (JP) 1996-10-29 US disclosed
US-5545702-A THERMOSETTING RESIN COMPOSITION MITSUI TOATSU CHEMICALS, INC. (JP) 1996-08-13 US disclosed
US-5536795-A ADHESIVES AND PAINTS AND FIREPROOFING THERMOSETTING RESINS MITSUI TOATSU CHEMICALS, INC. (JP) 1996-07-16 US disclosed
US-5480947-A N-METHYLOL DIGUANAMINES MITSUI TOATSU CHEMICALS, INC. (JP) 1996-01-02 US disclosed
EP-0612797-A2 Modification method of resins MITSUI TOATSU CHEMICALS, Inc. (JP) 1994-08-31 EP disclosed