SCHEMBL3961

SCHEMBL3961

C[N+](C)(C)CCOC(=O)c1ccccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.67
TSHR P16473 6/20 0.53
LMNA P02545 3/20 0.53
ALDH1A1 P00352 3/20 0.51
CHRM2 P08172 2/20 0.51
CHRM4 P08173 2/20 0.51
CHRM1 P11229 2/20 0.51
CHRM3 P20309 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ADRB2 P07550 1/20 0.46

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
SCHEMBL29521789 1.00 TDP1 (0.67) TDP1TSHRLMNAALDH1A1CHRM2
SCHEMBL9878602 0.98 TDP1 (0.65) TDP1TSHRLMNAALDH1A1CHRM2
Hydrogen Sulfide SCHEMBL9879738 0.98 TDP1 (0.65) TDP1TSHRLMNAALDH1A1CHRM2
SCHEMBL2870359 0.98 TDP1 (0.65) TDP1TSHRLMNAALDH1A1CHRM2
Hydrogen Sulfide SCHEMBL9879813 0.98 TDP1 (0.65) TDP1TSHRLMNAALDH1A1CHRM2
Hydrogen Sulfide SCHEMBL9879814 0.98 TDP1 (0.65) TDP1TSHRLMNAALDH1A1CHRM2
SCHEMBL9879423 0.98 TDP1 (0.65) TDP1TSHRLMNAALDH1A1CHRM2
SCHEMBL3469 0.98 TDP1 (0.65) TDP1TSHRLMNAALDH1A1CHRM2
SCHEMBL9879199 0.98 TDP1 (0.65) TDP1TSHRLMNAALDH1A1CHRM2
Hydrochloric Acid SCHEMBL11337068 0.98 TDP1 (0.65) TDP1TSHRLMNAALDH1A1CHRM2

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 8282 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250387389-A1 METHODS OF TREATING DISEASE WITH LEVOKETOCONAZOLE XERIS PHARMACEUTICALS, INC. (US) 2025-12-25 US claimed
US-20250255781-A1 PROCESSES FOR PREPARATION OF 3-D PRINTED PHARMACEUTICAL PRODUCTS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-08-14 US claimed
US-12296043-B2 Liquisoft capsules PATHEON SOFTGELS INC. (US) 2025-05-13 US claimed
US-20250127191-A1 ANTI-INFLAMMATORY FEED FORMULATION AND USES THEREOF NAT-PHEN NUTRITION (CA) 2025-04-24 US claimed
US-20250099590-A1 HIGH DENSITY ULTRASOUND COUPLING GEL AND METHODS OF USE THEREOF ZETROZ SYSTEMS LLC (US) 2025-03-27 US claimed
WO-2025062440-A1 TOPICAL NANO-DISPERSION COMPOSITIONS AND THEIR PREPARATION THEREOF PULSE PHARMACEUTICALS PVT. LTD (IN) 2025-03-27 WO claimed
EP-4510999-A1 PROCESSES FOR PREPARATION OF 3-D PRINTED PHARMACEUTICAL PRODUCTS Bristol-Myers Squibb Company (US) 2025-02-26 EP claimed
CN-119403790-A Process for preparing hydroxyphenyl-1, 3, 5-triazine compounds 巴斯夫欧洲公司 2025-02-07 CN claimed
CN-119212681-A Method for preparing 3-D printed pharmaceutical products 百时美施贵宝公司 2024-12-27 CN claimed
EP-4465825-A1 ANTI-INFLAMMATORY FEED FORMULATION AND USES THEREOF Nat-Phen Nutrition (CA) 2024-11-27 EP claimed
US-4338311-A Hydrophilic choline salicylate formulation RIKER LABORATORIES, INC. (US) 1982-07-06 US claimed
EP-0046270-A1 Novel derivatives of bio-affecting phenolic compounds and pharmaceutical composition containing them INTERx RESEARCH CORPORATION (US) 1982-02-24 EP claimed
US-4287174-A CONTAINING A QUATERNARY AMMONIUM CARBOXY ZWITTERIONIC COMPOUND AND AN ANTACID THE PROCTOR & GAMBLE COMPANY (US) 1981-09-01 US claimed
US-4275059-A IN COMBINATION WITH A DIPHOSPHONATE COMPOUND THE PROCTER & GAMBLE COMPANY (US) 1981-06-23 US claimed
EP-0004686-A2 Anti-ulcer composition THE PROCTER & GAMBLE COMPANY (US) 1979-10-17 EP claimed
US-4147776-A COORDINATION COMPLEX WITH AN ALKALI METAL SULFITE MUNDIPHARMA, AG (CH) 1979-04-03 US claimed
US-4098813-A PREPARATION OF ALKALI METAL CHOLINE SALICYLATE SALT COMPLEXES MUNDIPHARMA AG (CH) 1978-07-04 US claimed
US-4067974-A Stabilized solid form choline salicylate compositions THE PURDUE FREDERICK COMPANY (US) 1978-01-10 US claimed
US-4036228-A Osmotic dispenser with gas generating means ALZA CORPORATION (US) 1977-07-19 US claimed
US-3947491-A INHIBIT COLOR FORMATION THE PURDUE FREDERICK COMPANY (US) 1976-03-30 US claimed