SCHEMBL161269

SCHEMBL161269

[c]1ccc(-c2cccc3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MCL1 Q07820 2/20 0.45
ACMSD Q8TDX5 1/20 0.45
ENPP3 O14638 1/20 0.45
ENPP1 P22413 1/20 0.45
TNF P01375 1/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
NISCH Q9Y2I1 1/20 0.42
PPARG P37231 5/20 0.41
PPARA Q07869 5/20 0.41
PPARD Q03181 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 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
Water SCHEMBL27550628 1.00 CA12 (0.49) CA12CA1CA2CA9HDAC8
SCHEMBL27297558 0.98 CA12 (0.47) CA12CA1CA2CA9HDAC8
SCHEMBL27576521 0.98 CA12 (0.47) CA12CA1CA2CA9HDAC8
SCHEMBL28787358 0.96 CA12 (0.46) CA12CA1CA2CA9HDAC8
SCHEMBL668823 0.96 CA12 (0.54) CA12CA1CA2CA9HDAC8
SCHEMBL2586304 0.90 HPRT1 (0.54) CA12CA1CA2CA9HDAC8
SCHEMBL1270804 0.90 HPRT1 (0.54) CA12CA1CA2CA9HDAC8
SCHEMBL2450625 0.85 MCL1 (0.45) CA12CA1CA2CA9HDAC8
SCHEMBL23803186 0.84 DHFR (0.39) CA12CA1CA2CA9HDAC8
SCHEMBL20774194 0.84 HSD17B10 (0.43) CA12CA1CA2CA9HDAC8

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 4465 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118355014-A Novel compound and organic light emitting device comprising the same 株式会社LG化学 2024-07-16 CN claimed
CN-118339155-A Novel compound and organic light emitting device comprising the same 株式会社LG化学 2024-07-12 CN claimed
CN-118339158-A Novel compound and organic light emitting device comprising the same 株式会社LG化学 2024-07-12 CN claimed
US-20240237518-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2024-07-11 US claimed
CN-118291125-A Organic material composition and application thereof 宁波卢米蓝新材料有限公司 2024-07-05 CN claimed
CN-118290414-A Benzoxazole organic compound containing benzonaphthofuran and application thereof 宁波卢米蓝新材料有限公司 2024-07-05 CN claimed
US-20240224784-A1 ORGANIC LIGHT EMITTING DIODE COMPRISING ORGANOMETALLIC COMPOUND AND PLURALITY OF HOST MATERIALS LG DISPLAY CO., LTD. (KR) 2024-07-04 US claimed
US-12024526-B2 Fused polycyclic aromatic compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2024-07-02 US claimed
CN-113498412-B Compound and organic light emitting device comprising the same 株式会社LG化学 2024-07-02 CN claimed
US-20240215285-A1 ORGANIC LIGHT EMITTING DIODE COMPRISING ORGANOMETALLIC COMPOUND AND PLURALITY OF HOST MATERIALS LG DISPLAY CO., LTD. (KR) 2024-06-27 US claimed
US-5102567-A Odorless, colorless and tasteless hydrocarabon oil and an antioxidant additive; for use in food processing AMOCO CORPORATION (US) 1992-04-07 US claimed
WO-1991009595-A1 ANTI-VIRAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 1991-07-11 WO claimed
EP-0199151-B1 LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-11-07 EP claimed
US-4675044-A DEFOLIANTS UNIROYAL CHEMICAL COMPANY, INC. (US) 1987-06-23 US claimed
US-4623661-A HYDROXAMIC ACID DERIVATIVES ABBOTT LABORATORIES (US) 1986-11-18 US claimed
EP-0199151-A2 Lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1986-10-29 EP claimed
US-4569690-A HERBICIDES, FUNGICIDES, PLANT DESSICANTS, DEFOLIANTS UNIROYAL, INC. (US) 1986-02-11 US claimed
US-4335057-A 4-(2',2,2'-Trihalogenoethyl)-cyclobutane-1-sulfonic acid salts with optically active bases CIBA-GEIGY CORPORATION (US) 1982-06-15 US claimed
US-4244963-A 1-[2-(Alkyl and arylsulfonyl)-2-propenyl and propyl] substituted piperidines useful as antimicrobial and antiinflammatory agents MERCK & CO., INC. (US) 1981-01-13 US claimed
EP-0016571-A1 N-(Arylthiocarbamoyl)-2-amino-1H-isoindole-1,3-(2H)diones, processes for their preparation and their use as plant growth regulators Gulf Oil Corporation (US) 1980-10-01 EP claimed