SCHEMBL68592

SCHEMBL68592

CC(Cc1cc[c]cc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
TAAR1 Q96RJ0 5/20 0.47
SIGMAR1 Q99720 2/20 0.43
AOC3 Q16853 2/20 0.42
MAOA P21397 4/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CYP2A6 P11509 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
TRPA1 O75762 2/20 0.41
RIPK1 Q13546 1/20 0.41
MAOB P27338 3/20 0.41
NISCH Q9Y2I1 3/20 0.41

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
SCHEMBL28859481 0.92 ESR1 (0.47) ESR1ESR2TAAR1SIGMAR1MAOA
SCHEMBL7201337 0.92 ESR1 (0.47) ESR1ESR2TAAR1SIGMAR1MAOA
SCHEMBL14799062 0.85 TAAR1 (0.56) ESR1ESR2TAAR1SIGMAR1AOC3
SCHEMBL8983689 0.85 TAAR1 (0.56) ESR1ESR2TAAR1SIGMAR1AOC3
SCHEMBL9069704 0.85 ESR1 (0.61) ESR1ESR2TAAR1SIGMAR1AOC3
SCHEMBL535702 0.85 TAAR1 (0.56) ESR1ESR2TAAR1SIGMAR1AOC3
SCHEMBL5069232 0.84 TRPA1 (0.43) TAAR1SIGMAR1AOC3MAOASLC6A2
Ammonia Solution, Strong SCHEMBL5082413 0.83 TAAR1 (0.54) ESR1ESR2TAAR1SIGMAR1AOC3
SCHEMBL2847799 0.82 ESR1 (0.50) ESR1ESR2
Hydrochloric Acid SCHEMBL7266799 0.81 TAAR1 (0.52) ESR1ESR2TAAR1SIGMAR1AOC3

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

Appears in 2387 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12041848-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2024-07-16 US claimed
EP-3378853-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2024-04-17 EP claimed
CN-115557879-B Compound and organic electronic device comprising same 株式会社LG化学 2024-02-20 CN claimed
US-11877509-B2 Organic light-emitting element LG CHEM, LTD. 2024-01-16 US claimed
CN-115557879-A Compound and organic electronic device comprising the same 株式会社LG化学 2023-01-03 CN claimed
CN-108368077-B Heterocyclic compound and organic light-emitting device comprising same 株式会社LG化学 2022-07-05 CN claimed
US-RE49118-E1 Material for organic electroluminescence device and electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2022-06-28 US claimed
CN-107501244-B Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element 出光兴产株式会社 2022-05-03 CN claimed
CN-107556298-B Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element 出光兴产株式会社 2021-12-21 CN claimed
CN-108699074-B Compound of spiro structure and organic electronic device comprising the same 株式会社LG化学 2021-12-14 CN claimed
EP-0820312-B1 TERNARY RADIOPHARMACEUTICAL COMPLEXES BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-07-10 EP claimed
EP-1115284-A1 ANTIFOULING AGENTS Phycogen, Inc. (US) 2001-07-18 EP claimed
EP-1115394-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING DERIVATIVES OF SULPHUR ACIDS Phycogen, Inc. (US) 2001-07-18 EP claimed
EP-1115285-A1 SAFE AND EFFECTIVE BIOFILM INHIBITORY COMPOUNDS AND HEALTH-RELATED USES THEREOF Phycogen, Inc. (US) 2001-07-18 EP claimed
EP-1115289-A2 ENVIRONMENTALLY BENIGN CROP PROTECTION AGENTS Phycogen, Inc. (US) 2001-07-18 EP claimed
WO-2000016623-A1 ANTIFOULING AGENTS PHYCOGEN, INC. (US) 2000-03-30 WO claimed
WO-2000016764-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING DERIVATIVES OF SULPHUR ACIDS PHYCOGEN, INC. (US) 2000-03-30 WO claimed
WO-2000016624-A1 SAFE AND EFFECTIVE BIOFILM INHIBITORY COMPOUNDS AND HEALTH-RELATED USES THEREOF PHYCOGEN, INC. (US) 2000-03-30 WO claimed
WO-2000016632-A2 ENVIRONMENTALLY BENIGN CROP PROTECTION AGENTS PHYCOGEN, INC. (US) 2000-03-30 WO claimed
US-5744120-A PHOSPHINE OR ARSINE LIGATED TECHNETIUM-99M LABELED HYDRAZINO OR DIAZINO MODIFIED BIOLOGICALLY ACTIVE MOLECULES THAT SELECTIVELY LOCALIZE AT SITES OF DISEASE THE DUPONT MERICK PHARMACEUTICAL COMPANY (US) 1998-04-28 US claimed