SCHEMBL797502

SCHEMBL797502

C=C(C(=O)O)c1ccc[nH]1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NAPRT Q6XQN6 1/20 0.41
ATM Q13315 1/20 0.40

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
SCHEMBL13656487 0.84 TSHR (0.43) TSHRCYP2D6CYP1A2RAB9ASMN1; SMN2
SCHEMBL1337364 0.81 TSHR (0.44) TSHRCYP2D6CYP1A2GAARAB9A
SCHEMBL10475040 0.80 TSHR (0.42) TSHRCYP2D6CYP1A2GAARAB9A
SCHEMBL1608665 0.78 HDAC1 (0.43) TSHRCYP2D6CYP1A2ATM
Formaldehyde SCHEMBL27470039 0.77 TSHR (0.53) TSHRCYP2D6CYP1A2GAARAB9A
SCHEMBL1127485 0.77 TSHR (0.53) TSHRCYP2D6CYP1A2GAARAB9A
SCHEMBL28298 0.77
SCHEMBL10141202 0.77
SCHEMBL21114388 0.77 TSHR (0.57) TSHRCYP2D6CYP1A2GAARAB9A
SCHEMBL10141203 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10167501-B2 Methods and apparatus for quantification of nucleic acid amplification by monitoring impedances AUCKLAND UNISERVICES LIMITED (NZ) 2019-01-01 US claimed
US-20160046977-A1 Methods and Apparatus for Amplifying Nucleic Acids AUCKLAND UNISERVICES LIMITED (NZ) 2016-02-18 US claimed
EP-0802782-B1 PROPHYLACTIC AND THERAPEUTIC TREATMENT OF SKIN SENSITIZATION AND IRRITATION BRISTOL MYERS SQUIBB CO (US) 2003-02-05 EP claimed
US-5995869-A Reduction of skin sensitization in electrotransport drug delivery ALZA CORPORATION (US) 1999-11-30 US claimed
US-5912010-A ADMINISTERING LOOP DIURETIC ALONE OR WITH MAST CELL DEGRANULATOR OR GLUCOCORTICOSTEROID E.R. SQUIBB & SONS, INC. (US) 1999-06-15 US claimed
US-5843979-A Transdermal treatment with mast cell degranulating agents for drug-induced hypersensitivity BRISTOL-MYERS SQUIBB COMPANY (US) 1998-12-01 US claimed
EP-0802782-A4 PROPHYLACTIC AND THERAPEUTIC TREATMENT OF SKIN SENSITIZATION AND IRRITATION BRISTOL MYERS SQUIBB CO (US) 1998-04-01 EP claimed
WO-1997047355-A1 REDUCTION OF SKIN SENSITIZATION IN ELECTROTRANSPORT DRUG DELIVERY ALZA CORPORATION (US) 1997-12-18 WO claimed
US-5686100-A Prophylactic and therapeutic treatment of skin sensitization and irritation E.R. SQUIBB & SONS, INC. (US) 1997-11-11 US claimed
EP-0802782-A1 PROPHYLACTIC AND THERAPEUTIC TREATMENT OF SKIN SENSITIZATION AND IRRITATION BRISTOL-MYERS SQUIBB COMPANY (US) 1997-10-29 EP claimed
WO-1996015771-A1 PROPHYLACTIC AND THERAPEUTIC TREATMENT OF SKIN SENSITIZATION AND IRRITATION BRISTOL-MYERS SQUIBB COMPANY (US) 1996-05-30 WO claimed
EP-0612525-A1 Transdermal treatment with mast cell degranulating agents for drug-induced hypersensitivity BRISTOL-MYERS SQUIBB COMPANY (US) 1994-08-31 EP claimed
CN-108456240-B Isosteviol derivative and preparation and application thereof 山东大学 2020-05-12 CN disclosed
US-10167501-B2 Methods and apparatus for quantification of nucleic acid amplification by monitoring impedances AUCKLAND UNISERVICES LIMITED (NZ) 2019-01-01 US disclosed
WO-2016176450-A1 TAMBJAMINES AND B-RING FUNCTIONALIZED PRODIGININES PORTLAND STATE UNIVERSITY (US) 2016-11-03 WO disclosed
US-20160046977-A1 Methods and Apparatus for Amplifying Nucleic Acids AUCKLAND UNISERVICES LIMITED (NZ) 2016-02-18 US disclosed
WO-1997047355-A1 REDUCTION OF SKIN SENSITIZATION IN ELECTROTRANSPORT DRUG DELIVERY ALZA CORPORATION (US) 1997-12-18 WO disclosed
US-5686100-A Prophylactic and therapeutic treatment of skin sensitization and irritation E.R. SQUIBB & SONS, INC. (US) 1997-11-11 US disclosed
EP-0273572-B1 Pyrrole derivatives and their use in agriculture ZENECA LTD (GB) 1996-01-24 EP disclosed
EP-0612525-A1 Transdermal treatment with mast cell degranulating agents for drug-induced hypersensitivity BRISTOL-MYERS SQUIBB COMPANY (US) 1994-08-31 EP disclosed