SCHEMBL8635672

SCHEMBL8635672

CC(CC(CC(=O)O)(C(=O)O)P(=O)(O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
FDPS P14324 1/20 0.32
CPT2 P23786 1/20 0.32
ACLY P53396 1/20 0.32
GABRR1 P24046 2/20 0.31
ALDH1A1 P00352 1/20 0.30
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 1/20 0.30

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
SCHEMBL11343039 0.83 CPT2 (0.35) CYP2D6TSHRCYP2C19HIF1ACPT2
SCHEMBL11339953 0.82 TSHR (0.33) CYP2D6TSHRCYP2C19HIF1AFDPS
SCHEMBL11329586 0.79 GCLC (0.37) CYP2D6TSHRCYP2C19HIF1ACHRM1
SCHEMBL11337390 0.79 GRM4 (0.36) FDPSALDH1A1
SCHEMBL22770 0.79 FOLH1 (0.44) TSHRCPT2ACLYALDH1A1
SCHEMBL5691553 0.78 ALDH1A1 (0.42) CYP2D6TSHRCYP2C19HIF1ACPT2
SCHEMBL11338615 0.78 TSHR (0.33) CYP2D6TSHRCYP2C19HIF1AFDPS
SCHEMBL11346356 0.78 TSHR (0.33) CYP2D6TSHRCYP2C19HIF1ACPT2
SCHEMBL10440190 0.77 FOLH1 (0.47) CPT2ACLY
SCHEMBL11329762 0.77 CHRM1 (0.46) TSHRFDPSCHRM1ADRA1A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0659702-B1 Method of cementing a subterranean zone HALLIBURTON ENERGY SERV INC (US) 1998-07-15 EP claimed
EP-0659702-A1 Method of cementing a subterranean zone HALLIBURTON COMPANY (US) 1995-06-28 EP claimed
US-5398759-A Acids, phosphonates, phosphinates HALLIBURTON COMPANY (US) 1995-03-21 US claimed
EP-0659702-B1 Method of cementing a subterranean zone HALLIBURTON ENERGY SERV INC (US) 1998-07-15 EP disclosed
EP-0659702-A1 Method of cementing a subterranean zone HALLIBURTON COMPANY (US) 1995-06-28 EP disclosed
US-5398759-A Acids, phosphonates, phosphinates HALLIBURTON COMPANY (US) 1995-03-21 US disclosed
EP-0356880-A2 Process for the synthesis of tetraethyl ester of phosphonosuccinic acid BAYER AG (DE) 1990-03-07 EP disclosed
US-4252857-A Flameproofing substrate BAYER AKTIENGESELLSCHAFT (DE) 1981-02-24 US disclosed
US-4133872-A Compositions for preparation of aqueous solutions of salts of lower valence 99 technetium HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 1979-01-09 US disclosed
US-4086334-A A CALCITONIN AND AN ADJUVANT CONTAINING CARBOXY AND/OR PHOSPHONO GROUPS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DT) 1978-04-25 US disclosed
US-3962433-A Method of treatment of calcium disorders using phosphonoalkane-polycarboxylic acids HENKEL & CIE G.M.B.H. (DT) 1976-06-08 US disclosed