Isopropyl Alcohol

Isopropyl Alcohol

SCHEMBL9580322

CC(C)O.CC(N)(O)Cc1ccccc1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.57
TAAR1 Q96RJ0 3/20 0.57
TRPA1 O75762 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CYP2D6 P10635 2/20 0.44
LMNA P02545 2/20 0.44
MAOA P21397 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CYP2A6 P11509 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
FDPS P14324 1/20 0.41
CYP3A4 P08684 1/20 0.39
RECQL P46063 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
SCHEMBL1698269 0.92 SLC6A2 (0.67) SLC6A2TAAR1TRPA1SMN1; SMN2HIF1A
Phosphoric Acid SCHEMBL5459504 0.82 FDPS (0.58) SLC6A2TAAR1TRPA1SMN1; SMN2HIF1A
Sulfuric Acid SCHEMBL5465234 0.82 SLC6A2 (0.55) SLC6A2TAAR1TRPA1SMN1; SMN2HIF1A
SCHEMBL15372893 0.80 SLC6A2 (0.57) SLC6A2TAAR1TRPA1SMN1; SMN2HIF1A
SCHEMBL28963920 0.80 SLC6A2 (0.52) SLC6A2TAAR1TRPA1SMN1; SMN2HIF1A
SCHEMBL8761557 0.78 SLC6A2 (0.54) SLC6A2TAAR1TRPA1SMN1; SMN2HIF1A
SCHEMBL23006674 0.77 SLC6A2 (0.53) SLC6A2TAAR1TRPA1SMN1; SMN2HIF1A
SCHEMBL5465236 0.77 SLC6A2 (0.48) SLC6A2TAAR1TRPA1SMN1; SMN2HIF1A
Pyrophosphoric Acid SCHEMBL5459506 0.77 FDPS (0.51) SLC6A2TAAR1SMN1; SMN2HIF1ACYP1A2
SCHEMBL28695317 0.76 MAPT (0.48) SLC6A2TAAR1TRPA1SMN1; SMN2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5212209-A Compositions for forming polyurethanes for molding materials THE DOW CHEMICAL COMPANY (US) 1993-05-18 US disclosed
EP-0490342-A2 Compatibilized internal mold release compositions for preparation of foamed and fiber-reinforced polymeric articles THE DOW CHEMICAL COMPANY (US) 1992-06-17 EP disclosed
EP-0190317-B1 INTERNAL MOLD RELEASE COMPOSITIONS, ACTIVE HYDROGEN-CONTAINING COMPOSITIONS CONTAINING THE INTERNAL MOLD RELEASE COMPOSITIONS AND A PROCESS FOR PREPARING MOLDED POLYURETHANE AND/OR POLYUREA AND LIKE POLYMERS THE DOW CHEMICAL COMPANY (US) 1990-10-31 EP disclosed
US-4895879-A POLYURETHANES THE DOW CHEMICAL COMPANY (US) 1990-01-23 US disclosed
EP-0190317-A4 INTERNAL MOLD RELEASE COMPOSITIONS, ACTIVE HYDROGEN-CONTAINING COMPOSITIONS CONTAINING THE INTERNAL MOLD RELEASE COMPOSITIONS AND A PROCESS FOR PREPARING MOLDED POLYURETHANE AND/OR POLYUREA AND LIKE POLYMERS. DOW CHEMICAL CO (US) 1987-01-10 EP disclosed
EP-0190317-A1 INTERNAL MOLD RELEASE COMPOSITIONS, ACTIVE HYDROGEN-CONTAINING COMPOSITIONS CONTAINING THE INTERNAL MOLD RELEASE COMPOSITIONS AND A PROCESS FOR PREPARING MOLDED POLYURETHANE AND/OR POLYUREA AND LIKE POLYMERS. DOW CHEMICAL CO (US) 1986-08-13 EP disclosed
US-4585803-A TERTIARY AMINE, METAL SALT OF ORGANIC ACID THE DOW CHEMICAL COMPANY (US) 1986-04-29 US disclosed
WO-1986001215-A1 INTERNAL MOLD RELEASE COMPOSITIONS, ACTIVE HYDROGEN-CONTAINING COMPOSITIONS CONTAINING THE INTERNAL MOLD RELEASE COMPOSITIONS AND A PROCESS FOR PREPARING MOLDED POLYURETHANE AND/OR POLYUREA AND LIKE POLYMERS THE DOW CHEMICAL COMPANY (US) 1986-02-27 WO disclosed