SCHEMBL2938153

SCHEMBL2938153

C[C](C)CC(C)CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
ANPEP P15144 4/20 0.35
LAP3 P28838 2/20 0.35
ERAP1 Q9NZ08 1/20 0.35
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
RNPEP Q9H4A4 1/20 0.31
SLC7A5 Q01650 1/20 0.31

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
SCHEMBL10889845 0.81 ALDH1A1 (0.36) ALDH1A1TDP1ANPEPTSHRMAPK1
SCHEMBL183207 0.77 ALDH1A1 (0.60) ALDH1A1TDP1ANPEPLAP3ERAP1
SCHEMBL20916316 0.77 ALDH1A1 (0.33) ALDH1A1TDP1TSHRMAPK1
SCHEMBL19287908 0.77 ALDH1A1 (0.33) ALDH1A1TDP1TSHRMAPK1
SCHEMBL10406530 0.75 CACNA2D1 (0.41) ALDH1A1TDP1ANPEPLAP3ERAP1
SCHEMBL10405864 0.73 ALDH1A1 (0.35) ALDH1A1TDP1TSHR
SCHEMBL20916327 0.73 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL1483230 0.73 ALDH1A1 (0.39) ALDH1A1TDP1
SCHEMBL38321 0.72
SCHEMBL599901 0.71 TSHR (0.47) ALDH1A1TDP1ANPEPLAP3ERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4636531-A REACTION INJECTION MOLDING, CHAIN EXTENSION, STERIC HINDRANCE, PRIMARY AROMATIC DIAMINE BASF AKTIENGESELLSCHAFT (DE) 1987-01-13 US claimed
EP-0093334-B1 PROCESS FOR THE PRODUCTION OF POSSIBLY CELLULAR MOULDED ARTICLES FROM POLYUREA ELASTOMERS BASF Aktiengesellschaft (DE) 1986-11-12 EP claimed
EP-0157120-A1 Process for the preparation of optionally cellular polyurethane-polyurea moulded objects having demoulding properties BASF Aktiengesellschaft (DE) 1985-10-09 EP claimed
EP-2158243-B1 METHOD FOR PRODUCTION OF ORGANIC XEROGELS BASF SE (DE) 2010-09-22 EP disclosed
EP-2158243-A1 METHOD FOR PRODUCTION OF ORGANIC XEROGELS BASF SE (DE) 2010-03-03 EP disclosed
WO-2008138977-A1 METHOD FOR PRODUCTION OF ORGANIC XEROGELS BASF SE (DE) 2008-11-20 WO disclosed
EP-0944661-B1 INNER PARTING AGENTS FOR PRODUCING SELF-PARTING MOULDINGS MADE OF POLYISOCYANATE POLYADDITION PRODUCTS BASF AG (DE) 2001-03-28 EP disclosed
US-6169124-B1 USE OF DIESTERS AND/OR MONOESTERS OF ALKYLSUCCINIC AND/OR ALKENYLSUCCINIC ACIDS, BASF AKTIENGESELLSCHAFT (DE) 2001-01-02 US disclosed
EP-0866817-B1 PROCESS FOR PREPARING SELF-RELEASING, COMPACT OR CELLULAR MOULDED BODIES OPTIONALLY CONTAINING REINFORCING AGENTS AND MADE OF POLYISOCYANATE POLYADDITON PRODUCTS AND INTERNAL MOULD RELEASE AGENTS THEREFOR BASF AG (DE) 1999-09-01 EP disclosed
EP-0866817-A1 PROCESS FOR PREPARING SELF-RELEASING, COMPACT OR CELLULAR MOULDED BODIES OPTIONALLY CONTAINING REINFORCING AGENTS AND MADE OF POLYISOCYANATE POLYADDITON PRODUCTS AND INTERNAL MOULD RELEASE AGENTS THEREFOR BASF AKTIENGESELLSCHAFT (DE) 1998-09-30 EP disclosed
US-5798533-A CONTAINING A TERTIARY AMINE BLOW CATALYST, A TERTIARY AMINE DELAYED ACTION GEL CATALYST AND WATER AS THE SOLE BLOWING AGENT BASF CORPORATION (US) 1998-08-25 US disclosed
EP-0153639-A2 Process for the preparation of cellular or compact polyurethane-polyurea mouldings having modified mould release properties, and internal mould release agents for the polyisocyanate-polyaddition process BASF Aktiengesellschaft (DE) 1985-09-04 EP disclosed
EP-0145999-A2 Thermosetting composition having a prolonged pot life at room temperature on the basis of compounds having reactive hydrogen atoms and polyisocyanates, process for their preparation and their use in the preparation of moulded articles BASF Aktiengesellschaft (DE) 1985-06-26 EP disclosed
US-4469653-A AS POLYMERIZATION CATALYSTS BASF AKTIENGESELLSCHAFT (DE) 1984-09-04 US disclosed
EP-0109624-A2 Process for producing shaped articles made from polyurethane-polyurea which may be cellular BASF Aktiengesellschaft (DE) 1984-05-30 EP disclosed
US-4440705-A FROM POLYETHER POLYOLS WITH TERMINAL HYDROXYETHYLENE GROUPS BASF AKTIENGESELLSCHAFT (DE) 1984-04-03 US disclosed
EP-0093335-A1 Process for the production of moulded bodies on the basis of polyurethane or polyurethane-polyurea elastomers with a particular light and weather resistance BASF Aktiengesellschaft (DE) 1983-11-09 EP disclosed
EP-0093336-A2 Method of preparing compact or cellular moulded bodies of polyurea-polyurethane elastomers BASF Aktiengesellschaft (DE) 1983-11-09 EP disclosed
EP-0069287-A1 Process for the manufacture of possibly cellular polyurethane elastomers BASF Aktiengesellschaft (DE) 1983-01-12 EP disclosed
EP-0069295-A1 Process for the manufacture of possibly cellular polyurethane or polyurethane-polyurea moulded articles BASF Aktiengesellschaft (DE) 1983-01-12 EP disclosed