SCHEMBL4618599

SCHEMBL4618599

CCCCCCCCC(CCCCC)N(CCCCCCCC)CCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.46
PLA2G1B P04054 1/20 0.43
PLA2G2A P14555 1/20 0.43
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
OPRM1 P35372 1/20 0.39

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
SCHEMBL9514238 1.00 DNM1 (0.46) DNM1PLA2G1BPLA2G2ALMNATSHR
SCHEMBL10685373 1.00 DNM1 (0.46) DNM1PLA2G1BPLA2G2ALMNATSHR
SCHEMBL2419404 1.00 DNM1 (0.46) DNM1PLA2G1BPLA2G2ALMNATSHR
SCHEMBL8773201 1.00 DNM1 (0.46) DNM1PLA2G1BPLA2G2ALMNATSHR
Hydrochloric Acid SCHEMBL11644558 0.98 DNM1 (0.48) DNM1PLA2G1BPLA2G2ALMNATSHR
SCHEMBL28026028 0.95 DNM1 (0.42) DNM1PLA2G1BPLA2G2ALMNATSHR
SCHEMBL27600406 0.95 DNM1 (0.48) DNM1PLA2G1BPLA2G2ALMNATSHR
SCHEMBL4615021 0.93 DNM1 (0.41) DNM1PLA2G1BPLA2G2ALMNATSHR
SCHEMBL29480612 0.91 DNM1 (0.42) DNM1PLA2G1BPLA2G2ALMNATSHR
SCHEMBL21216971 0.91 DNM1 (0.42) DNM1PLA2G1BPLA2G2ALMNAOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893663-B1 METHOD FOR THE PRODUCTION OF POLYAMINES COMPRISING PRIMARY AMINO GROUPS BAYER MATERIALSCIENCE AG (DE) 2008-11-26 EP disclosed
EP-1893663-A1 METHOD FOR THE PRODUCTION OF POLYAMINES COMPRISING PRIMARY AMINO GROUPS Bayer MaterialScience AG (DE) 2008-03-05 EP disclosed
WO-2006133839-A1 METHOD FOR THE PRODUCTION OF POLYAMINES COMPRISING PRIMARY AMINO GROUPS BAYER MATERIALSCIENCE AG (DE) 2006-12-21 WO disclosed
US-20060287462-A1 Process for preparing polyamines having primary amino groups BAYER MATERIALSCIENCE AG (DE) 2006-12-21 US disclosed
US-5283364-A Hydrolysis of isocyanates with water in presence of amide solvent BAYER AKTIENGESELLSCHAFT (DE) 1994-02-01 US disclosed
US-4970342-A ONE STEP HYDROLYSIS OF ISOCYANATE GROUP CONTAINING COMPOUNDS IN PRESENCE OF EXCESS WATER AND TERTIARY AMINE CATALYST BAYER AKTIENGESELLSCHAFT (DE) 1990-11-13 US disclosed
EP-0219035-A2 Process for the preparation of polyamines, and their use in the preparation of polyurethanes BAYER AG (DE) 1987-04-22 EP disclosed
EP-0097298-B1 POLYAMINES, PROCESS FOR PRODUCING POLYAMINES AND THEIR USE IN THE PRODUCTION OF POLYURETHANES BAYER AG (DE) 1986-04-30 EP disclosed
EP-0097299-B1 POLYAMINES, PROCESS FOR PRODUCING POLYAMINES AND THEIR USE IN THE PRODUCTION OF POLYURETHANES BAYER AG (DE) 1986-04-16 EP disclosed
US-4515923-A HYDROLYSIS OF POLYISOCYANATES BAYER AKTIENGESELLSCHAFT (DE) 1985-05-07 US disclosed
EP-0097298-A2 Polyamines, process for producing polyamines and their use in the production of polyurethanes BAYER AG (DE) 1984-01-04 EP disclosed
EP-0097299-A2 Polyamines, process for producing polyamines and their use in the production of polyurethanes BAYER AG (DE) 1984-01-04 EP disclosed