SCHEMBL95798

SCHEMBL95798

[CH2]c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
KIF11 P52732 6/20 0.48
TRPV6 Q9H1D0 2/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
ORAI1 Q96D31 1/20 0.46
ORAI2 Q96SN7 1/20 0.46
ORAI3 Q9BRQ5 1/20 0.46
MGLL Q99685 1/20 0.46
TAAR1 Q96RJ0 1/20 0.42
EPHX2 P34913 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
PLAU P00749 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
IDO1 P14902 1/20 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
SCHEMBL2089685 0.92 KIF11 (0.61) ALDH1A1TSHRKIF11
SCHEMBL2098374 0.85 LTA4H (0.45) ALDH1A1TSHRKIF11
SCHEMBL63468 0.83 ALDH1A1 (0.67) ALDH1A1TSHRKIF11TRPV6CES2
SCHEMBL8642093 0.82 SRD5A2 (0.68) TSHRCES2CES1EPHX2
SCHEMBL27749464 0.82 KIF11 (0.50) ALDH1A1KIF11
SCHEMBL13205250 0.78 ALDH1A1 (0.53) ALDH1A1TSHRKIF11TRPV6CES2
SCHEMBL1119444 0.77 ESR1 (0.33)
SCHEMBL17844878 0.77 TSHR (0.32) TSHR
SCHEMBL27750959 0.77 ESR1 (0.33) CES2CES1
Bromide SCHEMBL29093544 0.76 ALDH1A1 (0.59) ALDH1A1TSHRKIF11TRPV6CES2

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 5377 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4399212-A1 SUBSTITUTED 2,3-DIHYDRO[1,3]THIAZOLO[4,5-B]PYRIDINES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2024-07-17 EP claimed
CN-118290322-A Aromatic molecules for the treatment of pathological conditions 赛尼欧普罗有限责任公司 2024-07-05 CN claimed
US-20240218022-A1 ANTI-VISTA MACROCYCLIC PEPTIDES AND COMPOSITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-04 US claimed
CN-118239883-A Preparation method of lysine-specific demethylase 1 (LSD 1) inhibitor 江苏联环药业股份有限公司 2024-06-25 CN claimed
CN-118206748-A PCB electroplating additive and preparation method thereof 广东利尔化学有限公司 2024-06-18 CN claimed
CN-118164996-A Sesquiterpene lactone scaberol C selenoether derivative, preparation method and application thereof 沈阳药科大学 2024-06-11 CN claimed
CN-118164997-A Sesquiterpene lactone scaberol C thioether derivative, and preparation method and application thereof 沈阳药科大学 2024-06-11 CN claimed
CN-118164998-A Sesquiterpene lactone scaberol C dithio carbamate derivative and preparation method and application thereof 沈阳药科大学 2024-06-11 CN claimed
CN-118159542-A Substituted 2, 3-dihydro [1,3] thiazolo [4,5-b ] pyridines, salts thereof and their use as herbicidal agents 拜耳公司 2024-06-07 CN claimed
CN-118125984-A Benzenesulfonamide compound and preparation method and application thereof 中国药科大学 2024-06-04 CN claimed
EP-0124369-A1 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-11-07 EP claimed
US-4452990-A TREATMENT OF SENILITY, AMNESIA AND MOTIVATION WARNER-LAMBERT COMPANY (US) 1984-06-05 US claimed
US-4440566-A Herbicidal substituted 2-(1-(oxyamino)-alkylidene)-cyclohexane-1,3-diones CHEVRON RESEARCH COMPANY (US) 1984-04-03 US claimed
EP-0095677-A2 Triazolyl-ketone oximes and dioximes, process for their preparation and their use as plant growth regulators BASF Aktiengesellschaft (DE) 1983-12-07 EP claimed
EP-0092730-A2 Bis-azolyl derivatives, their preparation, their use as plant growth regulators and compositions containing them BASF Aktiengesellschaft (DE) 1983-11-02 EP claimed
EP-0011173-B1 PROCESS FOR PRODUCING ANTIBIOTIC BETA-LACTAM COMPOUNDS SANRAKU-OCEAN CO., LTD. (JP) 1983-05-11 EP claimed
EP-0065407-A2 Pharmaceutical spiro-succinimide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-11-24 EP claimed
EP-0062236-A2 Use of triazole derivatives for combating fungi BASF Aktiengesellschaft (DE) 1982-10-13 EP claimed
US-4337199-A Antibiotic β-lactam compounds, production thereof, and their use as antimicrobial agent SANRAKU-OCEAN CO., LTD. (JP) 1982-06-29 US claimed
US-4022897-A 4H-PYRIDO(1,2-A) PYRIMIDIN-4-ONE DERIVATIVES E. R. SQUIBB & SONS, INC. (US) 1977-05-10 US claimed