SCHEMBL706694

SCHEMBL706694

NCCc1ccc(-c2ccc(-c3ccc(-c4ccc(CCN)s4)s3)s2)s1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.45
CYP2E1 P05181 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2A6 P11509 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2B6 P20813 2/20 0.43
CYP2C19 P33261 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
DPP4 P27487 2/20 0.39
CYP2D6 P10635 1/20 0.37
APP P05067 1/20 0.37
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL28000380 0.91 LTA4H (0.42) LTA4HCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL28000546 0.89 LTA4H (0.41) LTA4H
SCHEMBL18568777 0.87 CYP2E1 (0.43) LTA4HCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL28000378 0.86 LTA4H (0.42) LTA4H
SCHEMBL6565066 0.84 TAAR1 (0.50) CYP2A6TAAR1
SCHEMBL18469853 0.82 LTA4H (0.37) LTA4HCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL26625918 0.82 LTA4H (0.73) LTA4HCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL5728736 0.81 CYP2A6 (0.71) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL28115589 0.78 LTA4H (0.67) LTA4HTAAR1DPP4MEN1ALDH1A1
SCHEMBL28000574 0.78 LTA4H (0.67) LTA4HTAAR1DPP4MEN1ALDH1A1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1122291-B1 Layered organic-inorganic perovskites having metal-deficient inorganic frameworks IBM (US) 2012-09-12 EP claimed
US-7291516-B2 Low temperature melt-processing of organic-inorganic hybrid INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2007-11-06 US claimed
US-20060234480-A1 Low temperature melt-processing of organic-inorganic hybrid INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2006-10-19 US claimed
US-7105360-B2 Low temperature melt-processing of organic-inorganic hybrid INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2006-09-12 US claimed
US-20030170918-A1 Low temperature melt-processing of organic-inorganic hybrid INTERNATIONAL BUSINESS MACHINES CORPORATION 2003-09-11 US claimed
US-6429318-B1 METAL HALIDE LAYER AND HYDROGEN HALIDE SALT OF ORGANIC DIAMINE ARE CONTACTED; SALT FORMATION, SUPERSATURATION, PRECIPITATION INTERNATIONAL BUSINESS MACHINES CORPORAITON 2002-08-06 US claimed
US-6420056-B1 Electroluminescent device with dye-containing organic-inorganic hybrid materials as an emitting layer INTERNATIONAL BUSINESS MACHINES CORPORATION 2002-07-16 US claimed
EP-1122291-A2 Layered organic-inorganic perovskites having metal-deficient inorganic frameworks INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2001-08-08 EP claimed
US-6150536-A Dye doped organic-inorganic hybrid materials INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2000-11-21 US claimed
CN-114975989-B Leadless perovskite electrode and lithium ion battery comprising same 香港科技大学 2024-05-17 CN disclosed
US-8574953-B2 Low temperature melt-processing of organic-inorganic hybrid INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-11-05 US disclosed
EP-1122291-B1 Layered organic-inorganic perovskites having metal-deficient inorganic frameworks IBM (US) 2012-09-12 EP disclosed
EP-1122291-B1 Layered organic-inorganic perovskites having metal-deficient inorganic frameworks IBM (US) 2012-09-12 EP disclosed
US-20120126216-A1 LOW TEMPERATURE MELT-PROCESSING OF ORGANIC-INORGANIC HYBRID INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-05-24 US disclosed
US-20030170918-A1 Low temperature melt-processing of organic-inorganic hybrid INTERNATIONAL BUSINESS MACHINES CORPORATION 2003-09-11 US disclosed
EP-1122291-A3 Layered organic-inorganic perovskites having metal-deficient inorganic frameworks INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2003-07-30 EP disclosed
US-6420056-B1 Electroluminescent device with dye-containing organic-inorganic hybrid materials as an emitting layer INTERNATIONAL BUSINESS MACHINES CORPORATION 2002-07-16 US disclosed
EP-1122291-A2 Layered organic-inorganic perovskites having metal-deficient inorganic frameworks INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2001-08-08 EP disclosed
EP-1122291-A2 Layered organic-inorganic perovskites having metal-deficient inorganic frameworks INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2001-08-08 EP disclosed
US-6150536-A Dye doped organic-inorganic hybrid materials INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2000-11-21 US disclosed