Propane

SCHEMBL9067764

Brc1ccc2c(c1)C(C1=C([Zr+2])CC=C1)c1cc(Br)ccc1-2.CCC.[Cl-].[Cl-]

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

ACHE BDKRB2 CHRM1 CHRM2 CHRM3 CHRNA1 CHRNB1 CHRND CHRNE CHRNG GUCY1A1 GUCY1A2 GUCY1B1 GUCY1B2 NAMPT PTAFR SLC10A2 SLC6A2 SLC6A3 TACR1 dacA dacB dacC ftsI mrcA mrcB mrdA

The experimentally established mechanism targets of Propane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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.

Compound	similarity	top predicted	shared targets
Hydrochloric Acid SCHEMBL2483036	0.88	SLC6A2 (0.36)	—
Propane SCHEMBL9067761	0.79	SKP2 (0.35)	—
Hydrochloric Acid SCHEMBL3675424	0.76	NPC1 (0.31)	—
Methane SCHEMBL8935403	0.71	HTR2A (0.33)	—
Diphenylmethane SCHEMBL7938884	0.70	CYP11B1 (0.35)	—
Hydrochloric Acid SCHEMBL3675354	0.68	CYP1A2 (0.33)	—
SCHEMBL28919549	0.63	SLC6A2 (0.32)	—
SCHEMBL3977180	0.63	PGR (0.38)	—
SCHEMBL17209482	0.62	S100A4 (0.39)	—
Hydrochloric Acid SCHEMBL7762692	0.62	S100A4 (0.39)	—

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-5571880-A	CATALYSTS FOR POLYMERIZATION OF OLEFINS ESPECIALLY TO OBTAIN SYNDIOTACTIC POLYMERS	PHILLIPS PETROLEUM COMPANY (US)	1996-11-05	—	—	US	disclosed
EP-0666267-A2	Organometallic fluorenyl compounds, preparation, and use	PHILLIPS PETROLEUM COMPANY (US)	1995-08-09	—	—	EP	disclosed